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Herein, we describe the synthesis of tetraphenylphosphonium o-carboranyl dithiocarboxylate (Ligand 1) and methyldithiocarboxyl-o-carborane (Ligand 2). The complexes [Cp*M(o-C2B10H11CS2)Cl] (M = Ir (3); Rh (4)) and [Cp*M(o-C2B10H11CS2)2] (M = Ir (5); Rh (6)) have been synthesized based on Ligand 1. The selective B–H bond activation of Ligand 2 has also been explored, leading to the synthesis of the B–H activated complex [Cp*Ir(o-C2B10H10CS2CH3)Cl] (7) and four of its substituted derivatives (8, 9, 10 and 11). All of these compounds have been characterised through single-crystal X-ray diffraction, NMR, IR spectroscopy and elemental analysis. [ABSTRACT FROM AUTHOR]

Abstract: The perovskite structure is rich in ferroelectricity. In contrast, ferroelectric antiperovskites have been scarcely confirmed experimentally since the discovery of M3AB‐type antiperovskites in the 1930s. Ferroelectricity is now revealed in an organic–inorganic hybrid X3AB antiperovskite structure, which exhibits a clear ferroelectric phase transition 6/mmmF6mm with a high Curie point of 480 K. The physical properties across the phase transition are obviously changed along with the symmetry requirements, providing solid experimental evidence for the ferroelectric phase transition. More interestingly, the discovered antiperovskite shows intense photoluminescence and triboluminescence properties. The confirmation of the triboluminescent ferroelectric antiperovskite will open new avenues to explore excellent optoelectronic properties in the antiperovskite family. [ABSTRACT FROM AUTHOR]

Calcium-silicon powder was used as raw material, calcium lignosulfonate-chitosan was added as organic binders, and silicon-calcium pellets were prepared by disc granulation technology. Different binders, calcium lignosulfonate, the effect of factors such as chitosan addition amount and drying temperature on the compressive properties and quick-dispersion properties of calcium silicate pellets were investigated, and the granulation process conditions were optimized. With the help of XRF, XRD, FTIR and other technologies, the raw materials and samples structure and properties were analyzed to explore the mechanism of agglomeration and granulation of silicon-calcium powder. The results show that the best molding and granulation conditions are 3.75% calcium lignosulfonate, 1.25% chitosan, and a drying temperature of 115 °C, the particles are closely agglomerated, and the average compressive strength is 34.4 N. The penetration of water molecules into the particles is accelerated, and the hydrostatic test results show that the samples could be completely disintegrated within 51 s. [ABSTRACT FROM AUTHOR]

Four polynuclear mercaptotetrazole-based nickel clusters, [Ni 3 (hmt) 6 (H 2 O) 6 ]·4H 2 O ( 1 ), [(C 2 H 5 ) 4 N] 2 [Ni 9 ( μ 3 -CH 3 O) 8 (hmt) 12 ] ( 2 ), [Ni 5 ( μ 3 -OH) 2 (Hdmt) 6 (SCN) 8 ] ( 3 ), and [Ni 12 ( μ 6 -CO 3 )( μ 3 -CH 3 O) 12 (CH 3 CO 2 ) 3 (et) 6 (H 2 O) 12 ]·Br·2H 2 O ( 4 ), (here, Hhmt = 1-(2-hydroxyethyl)-5-mercapto-tetrazole, Hdmt = 1-[2-(N,N-dimethylamino)ethyl]-5-mercapto-tetrazole, Het = 5-(ethylthio)-1H-tetrazole), have been synthesized and characterized by elemental analysis, IR, powder X-ray diffraction and X-ray single-crystal diffraction. 1 shows a centrosymmetric linear trinuclear nickel cluster. 2 reveals of a dumbbell-like {Ni 9 } cluster with S3 symmetry containing two [Ni 4 (CH 3 O) 4 ] cubanes linked with a Ni atom through six “ N N ” bridges. 3 reveals of a {Ni 5 } cluster with a bowtie-like skeleton supported by μ 3 -OH − ions. 4 exhibits a plane- symmetry {Ni 12 } cluster with an approximate trefoil shape based on three [Ni 4 (CH 3 O) 4 ] cubanes bridged by a µ 6 -CO 3 2− . The results show that the minor ligand modification accompanying the regulating of reaction conditions (anion, solvent, pH, temperature and the different ratios) have a key role in the structural control of the self-assembly process. Magnetic properties of 1 , 2 and 4 in the 2–300 K have also been discussed. The linear {Ni 3 } ( 1 ) core displays dominant anti-ferromagnetic interactions from the nature of the binding modes through “ N N ” bridges. The {Ni 9 } ( 2 ) and {Ni 12 } ( 4 ) clusters display dominant ferromagnetic interactions from the nature of the binding modes through µ 3 -CH 3 O − and “ N N ” bridges. [ABSTRACT FROM AUTHOR]

Mixtures of three new MOFs, [Cu(Hdpt)(tdc)(H 2 O)] n ( 1 ), {[Cu 2 (Hdpt) 2 (tdc) 2 ]·2DMF} n ( 2 ) and [Cu 2 (dpt)(tdc)] n ( 3 ) (H 2 tdc = thiophene-2,5-dicarboxylic acid, Hdpt = 4,4′-(1H-1,2,4-triazole-3,5-diyl)bis-Pyridine), have been prepared by hydrothermal method and characterized by single-crystal X-ray diffraction, powder X-ray diffraction (PXRD), IR, TGA, and EA. Through precisely modulating the reaction conditions, pure samples of the three MOFs could be separately obtained, and regularity of reaction conditions impacting the resulted product was founded as well. Interestingly, it reveals that under moderate temperature and high DMF/H 2 O ratio, 1 firstly crystalized very quickly, and gradually transformed to 3 as time grows, which could be eye-monitored and demonstrated by PXRD as well. Moreover, the gas adsorption properties have also been investigated, which show potential applications in gas storage and separation. This work may set an example for the controllable synthesis of MOFs in systems that easily afford mixed-crystals. [ABSTRACT FROM AUTHOR]

A new hybrid heterostructure of p-type copper phthalocyanine (CuPc) and n-type porous GaN (PGaN) has been fabricated by electrophoretic deposition. The influence of CuPc concentration, electric field intensity, and deposition time on the growth of CuPc film has been explored. The as-prepared CuPc films are made of numerous nanorods. The X-ray diffraction (XRD) spectra revealed that the CuPc films are the β phase and amorphous type on pristine and porous GaN, respectively. Moreover, the prototype devices were fabricated on the basis of the CuPc/PGaN heterostructures. The devices exhibited excellent photodetector performance under ultraviolet (UV) light illumination. [ABSTRACT FROM AUTHOR]

Two new manganese(II) based organic-inorganic hybrid compounds, C11H21Cl3MnN2 ( 1) and C11H22Cl4MnN2 ( 2), with prominent photoluminescence and dielectric properties were synthesized by solvent modulation. Compound 1 with novel trigonal bipyramidal geometry exhibits bright red luminescence with a lifetime of 2.47 ms and high quantum yield of 35.8 %. Compound 2 with tetrahedral geometry displays intense long-lived (1.54 ms) green light emission with higher quantum yield of 92.3 %, accompanied by reversible solid-state phase transition at 170 K and a distinct switchable dielectric property. The better performance of 2 results from the structure, including a discrete organic cation moiety and inorganic metal anion framework, which gives the cations large freedom of motion. [ABSTRACT FROM AUTHOR]

The electrochemical deposition of zinc on single-crystal n-type GaN(0001) from a sulphate solution has been investigated on the basis of electrochemical techniques including cyclic voltammetry, chronoamperometry, and Tafel plot. The morphology and crystal structure of zinc deposits have been characterized by means of scanning electron microscopy, X-ray diffraction, and energy-dispersive X-ray analysis. The result has revealed that the deposition of Zn on GaN electrode commenced at a potential of −1.12 V versus Ag/AgCl. According to the Tafel plot, an exchange current density of ~0.132 mA cm−2 was calculated. In addition, the current transient measurements have shown that Zn deposition process followed the instantaneous nucleation in 10 mM ZnSO4 + 0.5 M Na2SO4 + 0.5 M H3BO3 (pH = 4). [ABSTRACT FROM AUTHOR]

In this work, one novel three dimensional non-interpenetrated metal–organic framework {[Mn 3 (L) 2 (H 2 O) 4 ]·2H 2 O·2DMF} n ( 1 ) was synthesized by a new tri-carboxylic ligand (H 3 L = 3,5-Bis-[2-(4-carboxy-phenoxy)-ethoxy]-benzoic acid). Single crystal structural determination revealed that compound 1 possesses a stable 3D framework, containing linear tri-nuclear [Mn 3 ] cluster as a node. The investigation on PXRD patterns in various solvents and TGA displays excellent solvents and thermal stability. Additionally, magnetic measurements indicate that antiferromagnetic interactions exist within compound 1 . [ABSTRACT FROM AUTHOR]

Treatments of β‐diketiminate aluminum dihydride LAlH2 (L=HC[C(Me)N(Ar)]2, Ar=2,6‐iPr2C6H3) with (2‐chlorophenyl)methanol, 2,3‐dimethylbutane‐2,3‐diol, 2,2‐dimethylpropane‐1,3‐diol, 2,2‐bis(bromomethyl)propane‐1,3‐diol, and p‐diphenol resulted in the formation of compounds containing the C−O−Al−O−C linkages, including the acyclic LAl[(μ‐O)CH2(o‐Cl−C6H4)2]2 (1), the five‐membered ring LAl[(μ‐O)CMe2]2 (2), the six‐membered ring LAl[(μ‐O)CH2]2CMe2 (3) and LAl[(μ‐O)CH2]2C(CH2Br)2 (4), and the macrocyclic [LAl(μ‐O)2(p‐C6H4)]4 (5), respectively. These practices prove that β‐diketiminate aluminum dihydride is a valuable precursor for the preparation of acyclic and cyclic systems. 1–5 were characterized by melting point, 1H and 13C NMR, FT‐IR, and single‐crystal X‐ray diffraction studies. [ABSTRACT FROM AUTHOR]

Three compounds, [Zn2L2(4,4′-bpt)2]n(1), [Cd2L2(3,4′-bpt)(H2O)2]n(2) and {[CoL(3,3′-bpt)(H2O)]∙H2O}n(3) (L = 3-Cl-1,2-benzenedicarboxylate dianion, 4,4′-bpt = 1H-3,5-bs(4-pyridyl)-1,2,4-itriazole, 3,4′-bpt = 1H-3-(3-pyridyl)-5-(4-pyridyl)-1,2,4-triazole and 3,3′-bpt = 1H-3,5-bis(3-pyridyl)-1,2,4-triazole), based on three positionally isomeric triazole-bipyridine ligands, were synthesized. Structural analyses of1–3reveal diverse 2-D network structures, which are based on different [ML]n(M = Zn, Cd, Co) chains. In the [ZnL]nchains of1, the carboxylic groups of L connect the adjacent Zn(II) centers with a monodentate bridging coordination mode (μ2-η1 / η1). In2, [CdL]nis a double chain connected by the carboxylic groups of L withμ3-η1 / η2/η2andμ3-η1 / η1 / η2bridges. The [CoL]nchains of3are formed by the carboxylic groups of L with theμ2-η1 / η2coordination mode. The powder X-ray diffraction and the thermal stability of1–3, the luminescent properties of1and2, and the magnetic behavior of3have been briefly investigated. [ABSTRACT FROM AUTHOR]

In the present research, the high pressure homogenization (HPH) technology was applied to prepare ursodeoxycholic acid (UDCA) nanosuspension. The aim of developing this new UDCA formulation was to enhance its bioavailability. The physicochemical characterization of UDCA nanosuspension was performed through particle size and Zeta potential measurements, differential scaning calorimetry (DSC) analysis, x-ray diffraction (XRD) measurements, and drug solubility and dissolution determinations. The mean particle size of UDCA nanosuspension was 297.5 nm with a polydispersity index of 0.162. Its particle size and Zeta potential did not show essential changes before and after water removal. The DSC curve of bulk UDCA showed a sharp endothermic peak at 207.82°C indicating the melting point. The XRD profile of dried powder of UDCA nanosuspension showed 2 intense peaks at 11.92° and 21.56°, respectively, indicating difference from the crystal characteristics of bulk UDCA. Its highest solubility and dissolution rate were 278.6 µg/mL and 98.77%, respectively. The feasibility of preparing nanosuspension by HPH technology was testified through successful preparation of UDCA nanosuspension. [ABSTRACT FROM AUTHOR]

Abstract: The hydrothermal reactions of 5-bromoisophthalic acid (H2BIPA) and metal salts in the presence of pyridine (py) result in three new coordination polymers, namely, M(BIPA)(py)3 [M=Co(II) (1), Ni(II) (2)] and Zn(BIPA)(py)2·H2O (3), all of which have been characterized by single-crystal X-ray, elemental analysis, infrared spectroscopy, and thermogravimetric analysis. Compounds 1 and 2 are isostructural and contain 21 helical chains made up of metal ions and BIPA2− ligand, the chains are further formed to the supramolecular structures by the π⋯π interactions between the adjacent parallel py rings. Compound 3 has a 1D chiral left-handed helical chain structure. It is notable that 3 is obtained by second order spontaneous resolution using achiral starting materials. Moreover, the solid-state CD spectrum of single crystals and powder samples of 3 is investigated. The nonlinear optical measurement shows that 3 displayed a second-harmonic-generation (SHG) response of 0.7 times that for urea. [Copyright &y& Elsevier]

The syntheses, structures, and magnetic properties are reported for four new lanthanide clusters [Sm4(μ3-OH)2L2(acac)6]·4H2O (1), [Gd4(μ3-OH)2L2(acac)6]·4CH3CN (2), and [Ln4(μ3-OH)2L2(acac)6]·2H2L·2CH3CN (3, Ln = Tb; 4, Ln = Dy) supported by salen-type (H2L = N,N′-bis(salicylidene)-1,2-cyclohexanediamine) and μ-diketonate (acac = acetylacetonate) ligands. The four clusters were confirmed to be essentially isomorphous by infrared spectroscopy and single-crystal X-ray diffraction. Their crystal structures reveal that the salen-type ligand provides a suitable tetradentate coordination pocket (N2O2) to encapsulate lanthanide(III) ions. Moreover, the planar Ln4 core is bridged by two μ3-hydroxide, four phenoxide, and two ketonate oxygen atoms. Magnetic properties of all four compounds have been investigated using dc and ac susceptibility measurements. For 4, the static and dynamic data indicate that the Dy4 complex exhibits slow relaxation of the magnetization below 5 K associated with single-molecule magnet behavior. [ABSTRACT FROM AUTHOR]

Abstract: Two proton-conductive molecular hybrid complexes, {[Zn(H2O)8][H(H2O)2](HINO)4(PMo12O40)} n (1) and {[Mn(H2O)8][H(H2O)2.5](HINO)4(PMo12O40)} n (2), were constructed by introducing protonated water clusters, transition metal ionized water clusters and [PMo12O40]3− anions in the gallery of H-bonding networks based on isonicotinic acid N-oxide (HINO). Single-crystal X-ray diffraction analyses at 293K revealed that both complexes presented exactly the same three-dimensional (3D) hydrogen-bonded networks with large one-dimensional (1D) channels. Interestingly, [PMo12O40]3− anions just filled in the 1D channels and self-assembled into poly-Keggin-anion chains. Thermogravimetric analyses both show no weight loss in the temperature range of 20–100°C, indicating that all water molecules in the unit structure are not easily lost below 100°C. Surprisingly, the proton conductivities of 1 and 2 in the temperature range of 85–100°C under 98% RH conditions reached high proton conductivities of 10−3 Scm−1. A possible mechanism of the proton conduction was proposed according to the experimental results. [Copyright &y& Elsevier]

Two isostructural metal phosphonates M3(2-cpp)2(H2O)3·H2O [M(ii) = Co (1), Zn (2), 2-cppH3= 2-carboxyphenylphosphonic acid] are synthesized and structurally characterized. Both exhibit layer structures in which -Co–O- “columns” are connected by the {PO3C} linkages. The “column” consists of triangular shaped {M3O3} trimers, inter-linked through either corner- or edge-sharing of the {MO6} octahedra. The phenyl groups are grafted on the two sides of the inorganic layer. Thermal analyses suggest that the layer structures of 1and 2are stable after removal of the lattice and coordination water. The dehydrated sample can be rehydrated reversibly in the case of compound 1. Magnetic studies reveal that antiferromagnetic interactions dominate in both 1and 1-de, resulting in ferrimagnetic layers in both cases. The large inter-layer distance in 1favors a ferromagnetic interaction between the layers. Hence ferrimagnetism is observed in both cases at low temperature. For 1-de, slow magnetization relaxation is also observed below ca.2.8 K. [ABSTRACT FROM AUTHOR]

Abstract: Homogeneous pore-free Ba2NaNb5O15, KSr2Nb5O15, and 2·Na2O–PbO–6·Nb2O5 thin films were fabricated on sapphire substrates using the sol–gel technique. By controlling the gelation and coating process, thickness of thin films fabricated was controllable from ~40nm to ~10μm. Synthesized thin films possessed highly preferred orientated microstructure. Another advantage of this method is the subsequent heat treatment temperature dramatically decreased compared with other methods. This increases stoichiometry control and makes the large scale fabrication more feasible and efficient. [ABSTRACT FROM AUTHOR]

A phosphorescent material in the form of Y2O2S : Eu3+, Mg2+, Ti4+ hollow microspheres was prepared by homogeneous precipitation using monodispersed carbon spheres as hard templates. Y2O3: Eu3+ hollow microspheres were first synthesized to serve as the precursor. Y2O2S : Eu3+, Mg2+, Ti4+ powders were obtained by calcinating the precursor in a CS2 atmosphere. The crystal structure, morphology and optical properties of the composites were characterized. X-ray diffraction measurements confirmed the purity of the Y2O2S phase. Electron microscopy observations revealed that the Y2O2S : Eu3+, Mg2+, Ti4+ particles inherited the hollow spherical shape from the precursor after being calcined in a CS2 atmosphere and that they had a diameter of 350-450 nm and a wall thickness of about 50-80 nm. After ultraviolet radiation at 265 or 325 nm for 5 min, the particles emitted strong red long-lifetime phosphorescence originating from Eu3+ ions. This phosphorescence is associated with the trapping of charge carriers by Ti4+ and Mg2+ ions. [ABSTRACT FROM AUTHOR]

The electrochemical properties of a series of TCNQ (TCNQ = 7,7,8,8-tetracyano-p-quinodimethane) lanthanide complexes have been investigated for the first time. Cyclic voltammograms and differential pulse voltammograms of this series of TCNQ lanthanide complexes show a reversible one-electron oxidation and a reversible one-electron reduction within the electrochemical window of CH3CN. Their electrochemical HOMO−LUMO gap and reversibility are examined. Three new TCNQ lanthanide complexes, namely, [Ln2(TCNQ)4(H2O)12][2TCNQ]·xMeOH·yH2O [Ln = Ce (1, x = 1, y = 3), Nd (2, x = 2, y = 4), Sm (3, x = 2, y = 3)] have been characterized. X-ray single-crystal diffraction reveals that 1−3 are ion complexes with one dimeric cation and two TCNQ− counterions. [Copyright &y& Elsevier]

This paper reports mixed ligated metal phosphonates with formula [Zn2(4-cppH)2(L1)] (1), [Zn3(4-cpp)2(L2)2]·2.5H2O (2), [Zn3(4-cpp)2(L3)]·H2O (3) and [Ni2(4-cppH)2(L1)3]·2H2O (4), where L1= 1,4-bis(imidazol-1-ylmethyl)benzene, L2= 1,3-bis(imidazol-1-ylmethyl)-benzene, L3= 1,2-bis(imidazol-1-ylmethyl)benzene and 4-cppH3= 4-carboxyphenylphosphonic acid. Compound 1shows a layer structure in which the inorganic double chains made up of {ZnO3N} and {PO3C} tetrahedra are connected by L1bridges in a trans-mode. In compound 2, an inorganic hexanuclear cluster is observed where the six zinc atoms are bridged purely through O–P–O units from four 4-cpp3−. The L2ligand adopts both cis- and trans-coordination modes to link the hexanuclear clusters into a three-dimensional framework structure with primitive cubic pcutopology. Compound 3displays another type of layer structure in which the inorganic chains made up of {ZnO3N} (or {ZnO4}) and {PO3C} tetrahedra are linked by both the 4-cpp3−and L3ligands. The L3ligand adopts cis-coordination mode. Unlike Zn(ii) ions in 1–3, the Ni(ii) ions in compound 4are octahedrally coordinated, and are bridged by both 4-cppH2−and L1ligands, resulting in an interesting double layer structure with the lattice water filling in the intralayer space. The thermal stabilities, luminescent and magnetic properties are investigated. [ABSTRACT FROM AUTHOR]

Abstract: Three Salen-like gadolinium complexes, namely, mononuclear (4f) complex [{H2L}Gd(NO3)3] (1), heterodinuclear (3d–4f) complex [{LCu}Gd(NO3)3]·0.25H2O (2) and dimeric heterotrinuclear (3d–4f–3d′) complex [{LCu}Gd(H2O)3{Fe(CN)6}]2·6H2O (3) [H2L = N,N′-ethylene-bis(3-methoxysalicylideneimine)] have been synthesized by stepwise reactions. X-ray diffraction analysis reveals that 1 is of a discrete structure in which H2L coordinates to gadolinium ion through O2O2 moiety. Then, addition of Cu(Ac)2·H2O to the mononuclear lanthanide complex yields expected heterodinuclear (3d–4f) complexes [{LCu}Gd(NO3)3]. 3 features a unique 1D ladder-like topology structure through the intermolecular double links of Cu–N bonds. The measurement of variable-temperature magnetic susceptibility reveals that complex 1 exhibits antiferromagnetic interaction while 2 and 3 exhibit ferromagnetic interaction between spin carriers. The correlations between the structure and magnetism are described and discussed. [Copyright &y& Elsevier]

Abstract: Nafion/TiO2 composite membranes were studied for the application in proton exchange membrane fuel cell (PEMFC) to be used with the humidified or dry reactant gases of H2 and O2. Composite membranes were prepared by carrying out in-situ sol–gel reaction of Ti (OC4H9)4 in Nafion perfluorosulfonic acid films, such as Nafion112, 1135 and 115. The influence of the concentration of Ti (OC4H9)4 isopropyl alcohol solution on the Ti content in the membranes of different thicknesses was investigated. The X-ray diffraction (XRD) analysis demonstrated that TiO2 in the composite membranes had a structure of anatase with an average particle size of 4.0nm. The energy dispersive spectra (EDS) analysis indicated a symmetrical distribution of the TiO2 particles in the modified membranes. The water retention ability and electrochemical performance of Nafion/TiO2 composite membranes were evaluated using a single PEMFC operated with humidified or dry gas reactants during a long period. [Copyright &y& Elsevier]

In this work, the Prussian-blue type FeFe(CN) 6 (Fe-PBA)/Ti 3 C 2 T x hybrids (Fe-PBA-CT) with improved reversible capacity and high stable cycling stability are synthesized by a hydrolytic process. The Fe–PBAs cubic nanoparticles effectively promote electrode/electrolyte contact, accelerate electron transfer and ion diffusion. The Ti 3 C 2 T x MXenes conductive networks can not only facilitate the transmission and diffusion of electrons/ions, but also provide additional Li+ ions storage sites to increase the specific capacity, thereby improving the rate performance and reversible capacity. Benefiting from the synergistic effect of nano cubic Fe-PBA and layered Ti 3 C 2 T x MXenes, compared with pristine Fe-PBA, the Fe-PBA-CT2 cathode with moderate content of Ti 3 C 2 T x MXenes delivers a superior discharge capacity of 145.9 mAh g−1 at 0.1 C, remarkable rate performance and excellent cycling stability without capacity fading after 900 cycles at 1 C. The ex-situ X-ray diffraction test proves that the structure change of Fe-PBA-CT is highly reversible process during cycling. The as-prepared Fe-PBA-CT exhibits a promising potential as a cathode material for the next generation lithium-ion batteries with stable cycling stability. [ABSTRACT FROM AUTHOR]

The title compound is synthesized by solid state reaction of a stoichiometric mixture of KCl, Ba, Sb, and S (evacuated silica tube, 820 °C, 4 d). [ABSTRACT FROM AUTHOR]

The crystal structure of the title compound, C22H24N2O10S, has been determined by X-ray diffraction. The molecule contains a sugar ring and a planar substituted heterocyclic ring linked, unusually, by an S atom. The sugar ring is in the normal chair conformation. [ABSTRACT FROM AUTHOR]

The attractive properties of layered inorganic materials, which make them suitable for numerous applications in chemical industries and life sciences, originated from their crystalline framework structures. Here, we report a new layered germanate PKU-21, which was prepared by the hydrothermal synthesis method using 2-propanolamine (MIPA) as the structure-directing agent. The structure of PKU-21 was determined from synchrotron single-crystal X-ray diffraction and synchrotron powder X-ray diffraction data. It reveals a complicated framework structure containing 18 unique Ge atoms in the asymmetric unit. PKU-21 is the first layered germanate built from both Ge7 and Ge10 clusters, following the 3-dimensional germanate PKU-17. The preparation and structure of PKU-21 are discussed in comparison with PKU-17, which provides new insight into the formation mechanism of germanates. Gas sorption experiments indicate that the layered PKU-21 sample exhibits a better CO2 sorption selectivity over N2 and CH4 at 298 K than at 273 K, making it a promising candidate for CO2 separation. [ABSTRACT FROM AUTHOR]

Based on the 6-(3-pyridyl)isophthalic acid (H 2 pip) ligand, three new complexes [Mn(Hpip) 2 (bipy) 2 (H 2 O) 2 ] ( 1 ), {[Mn(pip)(bibp)]·DMA} n ( 2 ) and [Mn(pip)] n ( 3 ), have been obtained under hydrothermal conditions and characterized by single-crystal X-ray diffraction. Compound 1 reveals a 0D mononuclear structure, and isolated molecules are further linked by hydrogen-bonds into a 3D supramolecular structure. In 2 , the binuclear Mn 2 (COO) 4 N 4 secondary building units (SBUs) are linked by neighboring ligands to result in a 2D layer structure. Inside of the structure of 3 , one-dimensional (1D) chains are formed by the coordination of carboxylate groups and Mn 2+ , which are further connected by the ligands generating a 3D network. Notably, complex 2 and 3 reveal high thermal and aqueous stability, suggested by TGA and PXRD data. Moreover, the magnetic measurements indicate polymers 2 and 3 are both exhibit antiferromagnetic behavior. [ABSTRACT FROM AUTHOR]

Five new quaternary rare-earth selenides, Cs[RE9Cd4Se18] (RE = Tb–Tm), which are the first examples with closed cavities in the quaternary A/RE/Cd/Q (A = alkali metal; RE = rare earth metal; Q = chalcogenide) system, have been synthesized by high-temperature solid state reactions with a modified reactive CsCl flux. Single crystal X-ray diffraction analyses show that these isostructural materials adopted a known BaV13O18-structure type in the trigonal space group R3̅ (no. 148) with cell parameters of a = 17.773(2)–17.489(6) Å, c = 9.918(2)–9.765(5) Å and Z = 3. The structure is composed of MSe6 (centered by disordered RE and Cd) and RESe6 octahedra that share edges to form a 3D framework, inside which the cuboctahedral Se12 closed cavities accommodate Cs cations. It is interesting to note that these compounds exhibit atomic distributions different from the recently reported Mn-compounds Cs[RE9Mn4Se18]. In Cd-compounds, Cd and RE atoms are statistically mixed only at one of the 18f sites; the rest of the RE atoms are fully occupied at the two framework sites: 18f and 3a. Moreover, the theoretical studies have greatly aided the understanding of the site-preference about a Cd atom in the 3D framework. The synthesis, structural characterization, electronic band structure as well as physical properties of the title compounds are also discussed. [ABSTRACT FROM AUTHOR]

Nanoporous GaN generated by photo-assisted electrochemical etching was used as template for electrodeposition of hierarchical Ag. The multilevel structures of deposits were confirmed by SEM, and further structurally characterized by XRD. Moreover, surface enhanced Raman scattering characterization revealed a low detection limit of 10 −12 M for Rhodamine 6G and an enhancement factor of ~10 7 by using the as-fabricated hierarchical Ag/GaN substrates. [ABSTRACT FROM AUTHOR]

Clausena lenis Drake (C. lenis) is a folk medicinal herb to treat influenza, colds, bronchitis, and malaria. The 95% and 50% ethanol extract of C. lenis showed significant nitric oxide (NO) inhibition activity in BV-2 microglial cells stimulated by lipopolysaccharide (LPS). Bio-guided isolation of the active extract afforded five new compounds, including a chlorine-containing furoquinoline racemate, (±)-claulenine A (1), an amide alkaloid, claulenine B (2), a prenylated coumarin, claulenin A (3), a furocoumarin glucoside, clauleside A (4), and a multi-prenylated p-hydroxybenzaldehyde, claulenin B (5), along with 33 known ones. Their structures were determined via spectroscopic methods, and the absolute configurations of new compounds were assigned via the electronic circular dichroism (ECD) calculations and single-crystal X-ray diffraction analysis. Compounds 2, 23, 27, 28, 33, and 34 showed potent anti-neuroinflammatory effects on LPS-induced NO production in BV-2 microglial cells, with IC50 values in the range of 17.6–40.9 μM. The possible mechanism was deduced to interact with iNOS through molecular docking. [ABSTRACT FROM AUTHOR]

Eight previously undescribed cevanine-type steroidal alkaloids, cirrhosinones I–N and cirrhosinols A-B, along with five known analogs, were isolated from the bulbs of Fritillaria cirrhosa D. Don. Their structures were elucidated on the basis of comprehensive analysis of HRESIMS, 1D and 2D NMR spectroscopic data, and single-crystal X-ray diffraction analyses. All compounds revealed weak NO inhibitory activities in the LPS-stimulated NR8383 cells at the concentration of 20 μM, with inhibition ratios ranging from 5.1% to 14.3%. [Display omitted] • Eight previously undescribed cevanine-type steroidal alkaloids were isolated from the bulbs of Fritillaria cirrhosa D. Don. • One cevanine-type steroidal alkaloid possesses an unusual 24-ketocarbonyl group. • All compounds revealed weak anti-inflammatory activities. [ABSTRACT FROM AUTHOR]

N-doped In2O3 Alms were deposited on fused quartz substrates by radio-frequency magnetron sputtering with different N2 flux. X-ray diffraction patterns, x-ray photoelectron spectroscopy and the optical transmittance spectra indicate that nitrogen has incorporated into the In2O3 lattice. Room-temperature d0 ferromagnetism is observed in all the Alms. The saturation magnetization increases from 0.73 to 3.5 emu/cm3 when the N2 flux varies from 0 to 10sccm. The concordant results in structural, compositional, optical and magnetic properties suggest that this d 0 ferromagnetism is associated with the N incorporation and may be mediated by the long-range p-p interaction between the N 2p states. [ABSTRACT FROM AUTHOR]

Abstract: The reaction of tricyanometallate precursor, (Bu4N)[(Tp*)Fe(CN)3] (Tp*=hydrotris(3,5-dimethylpyrazol-l-yl)borate) with Co(ClO4)2·6H2O in the presence of the bidentate dpa (dpa=2,2′-dipyridyl amine) ligand affords one novel cyano-bridged heterobimetallic {Fe2Co2} molecular square, [FeIII(Tp*)(CN)3]2[CoII(dpa)2]2•2ClO4•4H2O•4CH3OH (1). The molecular structure was determined by single-crystal X-ray diffraction. In compound 1, FeIII ion is coordinated by three cyanide carbon atoms and three nitrogen atoms of Tp* anions. Whereas, the CoII ion is surrounded by two cyanide nitrogen atoms and four nitrogen atoms from two bidentate dpa ligands. Cyclic voltammetry (CV) measurements showed that complex 1 exhibited one quasi-reversible waves (0.1V vs SCE) in the reduction process, and irreversible waves in the oxidation process. Magnetic measurements indicate that complex 1 exhibits a strong intramolecular ferromagnetic interaction between the low-spin FeIII(S=1/2) and high-spin CoII(S=3/2) ions. [Copyright &y& Elsevier]

Abstract: By introducing different quinolone antibacterial drugs into the octamolybdates POMs, four new compounds, [CuII(L1)2(H2O)2]H2[β-Mo8O26]·4H2O (1), [CuII 2(L2)4][δ-Mo8O26]·4H2O (2), [CuII 2(L3)2(H2O)2][β-Mo8O26] (3), [CuII 2(L4)2(H2O)4][β-Mo8O26]·2H2O (4) (where L1 =Enrofloxacin; L2 =Pipemidic Acid; L3 =Norfloxacin; L4 =Enoxacin), have been synthesized and characterized by routine physical methods and single crystal X-ray diffraction. In compound 1, isolated Cu–Enrofloxacin coordination subunits array the both sides of β-Mo8O26, forming 3D supramolecular structure via noncovalent interactions. And the Cu–Pipemidic Acid subunits covalently link δ-Mo8O26 to form 3D supramolecular structures via short interactions in 2. In 3, the Cu–Norfloxacin motif exhibits 1D chain structure, and the tetra-dentate β-[Mo8O26]4− clusters interact with neighboring chains to construct a 2D sheet. Similar to that of 3, the Cu–Enoxacin subunit in 4 exhibits 1D chain structure, and the bi-dentate β-[Mo8O26]4− clusters interact with neighboring chains to construct a 2D sheet. Due to the introduction of different drug molecules, the octamolybdates POMs exhibit different isomers and structures, which bring different properties. The antitumor activities of compounds 1–4 in vitro were studied by MTT experiments, and the results show that introduction of different drug molecules onto the polyoxoanion surface can affect their antitumor activities. [Copyright &y& Elsevier]

The syntheses of pure wheel-like 4f lanthanide complexes are challenging because of the variable and high coordination numbers as well as poor directionality of the lanthanide ions. Therefore, a multifunctional ligand, salicylhydroxamic acid (H3shi), with various coordination sites is deliberately selected for the construction of lanthanide complexes. At the same time, it is found that the ligand can successfully sensitize the lanthanide centers, exhibiting their characteristic emission. A series of wheel-like complexes are synthesized by using metal to ligand stoichiometry (Ln : H3shi : 2-pyca) with a ratio of 1 : 1 : 2, namely, [Ln6(H2shi)6(2-pyca)12(CH3CN)4] ({Ln6}; Ln = Nd, Sm–Er, and Yb). Single-crystal X-ray diffraction shows that the {Eu6} complex is formed as a hexatomic core with dimensions of approximately 18 × 18 × 13 Å. The powder X-ray diffraction analysis demonstrates that all other isolated complexes are isostructural. The analysis of the luminescence properties of these complexes shows typical metal-centered emission bands from the visible (Sm3+, Eu3+, Tb3+ and Dy3+) to near-infrared (Nd3+, Ho3+, Er3+ and Yb3+) ranges. {Sm6} and {Tb6} exhibit orange and bright-green emission in the visible region, respectively. {Eu6} and {Dy6} exhibit co-luminescence of the corresponding Ln3+ ions and the ligands. {Nd6}, {Ho6}, {Er6} and {Yb6} exhibit characteristic sharp emission bands in the NIR range. [ABSTRACT FROM AUTHOR]

Two DMTCNQ (DMTCNQ = 2,5‐dimethyl‐7,7,8,8‐tetracyano‐p‐quinodimethane) and DETCNQ (DETCNQ = 2,5‐diethyl‐7,7,8,8‐tetracyano‐p‐quinodimethane) gadolinium complexes [Gd(DMTCNQ)2(CH3OH)(H2O)6][DMTCNQ]·4H2O (1) and [Gd(DETCNQ)(H2O)7][2DETCNQ] (2) were synthesized by reactions of GdCl3·6H2O with Li(DMTCNQ) or Li(DETCNQ). X‐ray diffraction analysis reveals that complexes 1 and 2 are discrete complexes. The central metal atom in 1 is coordinated by two DMTCNQ ligand radicals whereas that in 2 is coordinated by just one DETCNQ ligand radical. The adjacent molecules are connected by the intermolecular hydrogen bonds to form the two‐dimensional (2D) supramolecular layer structures, which are further packed into a three‐dimensional (3D) supramolecular architecture through the π–π interactions between ligand radicals in 1 and 2. Magnetic investigation indicates that the antiferromagnetic interactions between spin carriers exists in 1 and 2. [ABSTRACT FROM AUTHOR]

Abstract Eight previously undescribed isoquinoline alkaloids, mucroniferanines H-M, together with 16 known isoquinoline alkaloids, were isolated from Corydalis mucronifera Maxim.. The structures of the previously undescribed compounds were elucidated by interpretation of 1D and 2D NMR spectroscopic and HRMS data, and their absolute configurations were established by computational electronic circular dichroism (ECD) calculations and X-ray diffraction data. Mucroniferanine L is reported as the first natural amide bond linked isoquinoline alkaloid dimer. The isolated compounds were evaluated for AChE and BuChE inhibitory activities and mucroniferanine H showed significant activities with IC 50 values of 2.31 μM and 36.71 μM, respectively. Graphical abstract 24 isoquinoline alkaloids including eight unreported ones were isolated from Corydalis mucronifera Maxim.. mucroniferanine H showed significant AChE inhibitory activity with an IC 50 value of 2.31 μM. mucroniferanine L is reported as the first amide bond linked isoquinoline alkaloid dimer. Image 1 Highlights • Eight previously undescribed isoquinoline alkaloids were isolated from Corydalis mucronifera Maxim. • Three pairs of enantiomers were separated and their absolute configurations were determined. • Mucroniferanine L is reported as the first amide bond linked isoquinoline alkaloid dimer. • Mucroniferanine H showed significant AChE inhibitory activity with an IC 50 value of 2.31 μM. [ABSTRACT FROM AUTHOR]

Flower-like hierarchical zinc oxide nanostructures have been successfully synthesized by a facile and template-free hydrothermal method from zinc acetate (Zn(AC) 2 ) and potassium hydroxide (KOH) only. Furthermore, the effects of alkaline mineralizer type on product synthesis by hydrothermal processing have been studied. The as-prepared samples were characterized by X-ray diffraction, scanning electron microscope, UV–vis spectrophotometry and Raman-scattering spectroscopy. When the type of mineralizer was KOH, the shape of ZnO sample has presented flower-like hierarchical nanostructures with diameters of 2–4 μm. Photocatalytic activity of the hierarchical ZnO nanostructures was evaluated by the degradation of methylene blue (MB) under UV light illumination. The as-prepared ZnO nanostructures exhibited a significantly enhanced photocatalytic activity than commercial ZnO. This was mainly attributed to the unique morphology and higher surface area. [ABSTRACT FROM AUTHOR]

A dinuclear dysprosium complex, [Dy2(tta)6(4‐mepyNO)2]·CHCl3 (tta = thenoyltrifluoroacetone, 4‐mepyNO = 4‐methylpyridine N‐oxide), has been structurally and magnetically characterized. Analysis of the single‐crystal structure revealed that the NO group serves as an effective bridge to link the two DyIII centres and combine with the peripheral β‐diketonate ligands to form an eight‐coordinate geometry of DyIII. Magnetic measurements showed significant zero‐field single‐molecule magnetic behaviour with a 3 K hysteresis temperature and 121 K energy barrier. Diamagnetic dilution studies revealed that the DyIII–DyIII coupling suppresses the quantum tunelling of magnetization, although the coupling is generally weak. The diluted system mainly displays decoupling single‐ion magnetic anisotropic behaviour with a higher hysteresis temperature of 3.5 K. [ABSTRACT FROM AUTHOR]

[Display omitted] • Biphasic phase ZnTiO 3 /PDA roads are constructed for the first time. • ZnTiO 3 /PDA roads show stable rate capability and cycling stability. • A hybrid with insertion, conversion and alloy reaction mechanism exists in ZnTiO 3. Titanium-based oxide materials have become a potential candidate anode material for power LIBs due to its good structural stability and high safety performance. However, poor conductivity of titanium-based anode materials hinders their practical application. To solve this issue, porous ZnTiO 3 rods and ZnTiO 3 /polytopamine (PDA) composites with excellent electrochemical properties were synthesized by solvothermal method and simple chemical polymerization in this work. The diameter of ZnTiO 3 and ZnTiO 3 /PDA rods is around 800 nm. The ex-situ XRD and electrochemical characterization confirm that ZnTiO 3 has intercalation, conversion and alloying reaction mechanism, resulting in higher capacity than most titanium-based anode materials. The ZnTiO 3 /PDA (6.2 wt%) anode possesses excellent cycling stability, which can provide a specific charge capacity of 467.1 mAh·g−1 after 500 cycles at 1000 mA·g−1. Moreover, after cycling, most of the ZnTiO 3 /PDA (6.2 wt%) still maintained the morphology of complete porous rods, indicating moderate PDA coating can significantly mitigate the volume change during the electrochemical reaction process and improve electrochemical properties. The EIS results demonstrate PDA coating can enhance the electrochemical reaction activity of ZnTiO 3 materials. Therefore, the PDA coating is an effective approach to enhance the electrochemical performance of titanium-based anode materials. [ABSTRACT FROM AUTHOR]

Fourteen previously undescribed steroidal alkaloids, including six jervine-type, wabujervine A-E and wabujerside A, seven cevanine-type, wabucevanine A-G, and one secolanidin-type, wabusesolanine A, along with thirteen known steroidal alkaloids, were isolated from the bulbs of Fritillaria unibracteata var. wabuensis. On the basis of comprehensive analysis of IR, HRESIMS, 1D and 2D NMR spectroscopic data, and single-crystal X-ray diffraction analyses, their structures were elucidated. In the zebrafish acute inflammatory models, nine compounds showed anti-inflammatory activity. [Display omitted] • Fourteen undescribed steroidal alkaloids were isolated from the bulbs of Fritillaria unibracteata var. wabuensis. • Two jervine-type steroidal alkaloids possess an unusual cis A/B ring system. • Nine steroidal alkaloids displayed anti-inflammatory activity in a CuSO 4 -induced transgenic zebrafish model. [ABSTRACT FROM AUTHOR]

Two new zinc phosphonates [Zn(HL 1 ) 2 ·H 2 O] ( 1 ), [Zn(HL 2 )] ( 2 ) [H 2 L 1  = C 6 H 4 (CN)-C 6 H 4 -CH 2 -PO(OH) 2 , H 3 L 2  = C 6 H 4 (COOH)-C 6 H 4 -CH 2 -PO(OH) 2 ] have been prepared via hydrothermal reaction. Their structures were first detected by single crystal X-ray diffraction and further characterized by elemental analysis, IR, TGA and X-ray single crystal/powder diffraction. The different functional groups of H 2 L 1 and H 3 L 2 involved in the coordination results in the structural diversity of complexes 1 and 2 . Luminescent and metal cations identifying properties of two complexes have also been explored. Complex 1 demonstrated much higher selectivity and sensitivity toward Fe 3+ ion than complex 2 . [ABSTRACT FROM AUTHOR]

A novel Bi-based anode material with a stable alloy reaction is prepared by a solvothermal method. The Mg storage mechanism is elucidated for the first time. Owing to the space confinement of in situ conversion, the anode material shows superior magnesium storage performance, especially the cycling stability (capacity retention ＞96% after 100 cycles). [ABSTRACT FROM AUTHOR]

One new highly oxygenated nortriterpene, named sieverlactone ( 1 ), one new sesquiterpene, 1 β ,10 β -epoxy-8 α -acetoxyachillin ( 2 ), one new natural product, 5-propinyl-thiophene-2-carboxylic acid ( 3 ), and one new thiophene, 3-hydroxy-5-propinyl-2-acetyl-thiophene ( 4 ), together with 10 other known compounds ( 5 − 14 ), were isolated from the dried aerial parts of Artemisia sieversiana . Their structures were elucidated by a combination of extensive spectroscopic analysis, including 1D, 2D NMR spectroscopic and mass spectrometric data. Meanwhile, the stereochemistry of 1 and 2 was confirmed by single-crystal X-ray diffraction technique using Cu radiation. All the isolates were evaluated for their anti-neuroinflammatory effects on the lipopolysaccharide-induced nitric oxide production in BV-2 murine microglial cells. Compounds 2 , 5 , and 6 exhibited the significant activities with IC 50 values of 6.5 ± 0.5, 11.9 ± 0.7, and 10.1 ± 0.3 μM, respectively, comparable to the positive control, quercetin, with an IC 50 value of 16.3 ± 0.4 μM. [ABSTRACT FROM AUTHOR]

n-Dodecyltriethoxysilane (DTEOS) modified NaHSO4/MCM-41 catalysts (silanized catalysts) were synthesized by different impregnation sequences and evaluated in the liquid-phase dehydration of castor oil. The samples were evaluated by X-ray diffraction, nitrogen adsorption-desorption, SEM, TEM, FT-IR spectroscopy, XPS, 29Si MAS NMR spectroscopy, contact angle measurements, NH3-TPD, and pyridine-FT-IR spectroscopy. The analyses demonstrated that silanization enhanced the hydrophobicity of the catalysts, and the impregnation sequence of silanized catalysts had a significant effect on the NaHSO4 dispersion, surface area, acid distribution, and hydrophobicity of the silanized catalysts. The catalytic activity of the silanized catalysts was much higher than that of NaHSO4/MCM-41. Among the silanized catalysts, the catalyst prepared by simultaneous impregnation with DTEOS and NaHSO4 showed the highest iodine value of 141.8 [g(I2) per 100 g] and lowest hydroxyl value of 11.3 [mg(KOH) ·g-1]. [ABSTRACT FROM AUTHOR]

Two new noncentrosymmetric borophosphates, Li 3 Cs 2 Ba 2 B 3 P 6 O 24 , 1 and RbBaBP 2 O 8 , 2 , have been synthesized via solid-state reactions at high temperature. The single crystal X-ray diffraction technique shows a cubic system, space group P 2 1 3 (No 198) for 1 with a =12.8530(5) Å and tetragonal system I 4 ̅ 2 d (No 122) for 2 with a =7.2810(18) Å, c =14.330 (5) Å. The main structure motif attributes a 3D framework formed of BO 4 and PO 4 tetrahedra in both compounds. The powder samples exhibit second harmonic generation (SHG) response, using Kurtz and Perry technique, demonstrated that 1 , 2 are about 0.2, 0.5 and 2, 2.5 times than that of KDP and SiO 2 in particle size range of 106–150 µm, 46−74 µm respectively. [ABSTRACT FROM AUTHOR]

A new potassium europium borate K 3 EuB 6 O 12 has been prepared using a high temperature molten salt method and structurally characterized by single crystal X-ray diffraction (SC-XRD) analyses. Its structure features a three-dimensional (3D) framework composed of isolated [B 5 O 10 ] 5− anions that are bridged by K + and Eu 3+ ions. In this structure, one crystallographic distinct atom site is mixed occupied by K/Eu at a molar ratio of 1:1. The self-activated photoluminescence (PL) of K 3 EuB 6 O 12 was studied. The excitation spectrum covers a wide range from 322 to 466 nm, which suggests that the K 3 EuB 6 O 12 phosphors can be effectively excited by a near-UV light source. The emission spectrum consists of groups of lines in the red spectral region due to the 5 D 0 → 7 F j (j = 1, 2, 3, 4) electronic transitions of Eu 3+ ions, with the most intense line at 611 nm. We may expect that K 3 EuB 6 O 12 has the potential to be a red phosphor pumped by near-UV LED chips. [ABSTRACT FROM AUTHOR]

We presented a systematic quality comparison of protein crystals grown using the cross-diffusion microbatch (CDM) and standard sitting-drop vapor diffusion methods. Eleven proteins were screened and it was found that crystals grown using CDM exhibited a better morphology. X-ray diffraction showed that the CDM method is practical and useful for obtaining high-quality protein crystals. [ABSTRACT FROM AUTHOR]

[Display omitted] • Two undescribed jervine-type steroidal alkaloids and five cevanine-type steroidal alkaloid glycosides were isolated from the bulbs of Fritillaria unibracteata Hsiao et K. C. Hsia. • Eight steroidal alkaloid glycosides were isolated in the n- BuOH fraction according to the LC-MS analysis. • Compound 10 has weak anti-inflammatory activity. Seven undescribed steroidal alkaloids, including two jervine-type steroidal alkaloids, fritiunibras A-B (1 – 2), and five cevanine-type steroidal alkaloid glycosides, fritiunibras C-G (3 – 7), along with six known cevanine-type steroidal alkaloids and their glycosides (8 – 13) were isolated from the bulbs of Fritillaria unibracteata Hsiao et K. C. Hsia. Their structures were determined by interpretation of comprehensive spectroscopic and single-crystal X-ray diffraction analysis. The absolute configurations of sugar moieties were determined by HPLC analysis and compared with standards after hydrolysis and derivatization. Furthermore, their inhibitory effects on NO production and cytotoxic activities were evaluated. [ABSTRACT FROM AUTHOR]

A Salen-type [Salen = N, N′-ethylene bis(salicylideneimine)] mononuclear lanthanide(III)-based Zn-Dy-Zn complex [Dy(ZnL)2(CH3COO)Cl2] ·CH2Cl2 ( 1) was prepared [H2L = N, N′-bis(3-ethoxysalicylidene)phenylene-1,2-diamine]. Single-crystal X-ray diffraction analysis revealed that DyIII was sandwiched between the two ZnL moieties, which was coordinated by three outer OO2 atoms and four inner N2O2 atoms from two Salen-type ligand, respectively, and an oxygen atom of acetic acid molecule completed the eight-coordinate arrangement. The continuous-shape-measures (CShMs) analysis to the DyIII coordination polyhedron revealed that the coordination environment lies among the ideal spherical triangular dodecahedron ( D2 d) and square antiprism ( D4 d), respectively, but with relative large deviation parameters. The alternative current (ac) susceptibility measurements shown that it behaved as a field-induced single-molecule magnet with relaxation energy barrier Ueff = 19 K and τ0 = 1.5 × 10-5 s. [ABSTRACT FROM AUTHOR]