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Synthesis and Structure of a New Dinuclear Tungsten(I) Compound with Phenylselenol Ligand,[W_2(SePh)_2(CO)_6(MeCN)_2]

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Chinese Journal of Structural Chemistry 2006年第9期25卷 1039-1042页

作者： ZHOU Zhang-Feng ZHUANG Bo-Tao WU Ke-Chen yao yuan-gen State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter The Chinese Academy of Sciences Fuzhou Fujian 350002 China

The reaction of Et4NCI, C6H5SeNa and W（CO）6 in MeCN afforded a new dinuclear tungsten（Ⅰ） complex W2（SePh）2（CO）6（MeCN）2 1 （Mr = 929.98）. The crystal structure has been determined by X-ray single-crystal diffraction. 1 Crystallizes in monoclinic, space group P2 1/n with a = 7.501（1）, b = 18.387（2）, c = 9.491（1） A,β= 103.897（2）°, V= 1270.6（3） A^3, Z = 2, Dc = 2.431 g/cm^3, μ = 119.50 cm^-1, F（000） = 852, R = 0.0695 and wR = 0.1724 for 2220 independent reflections with 1 〉 2σ（I）. The X-ray structure analysis reveals that the W2Se2 core of 1 is planar with W-W bond length of 3.0433（13） A and W-Se of 2.5922（17）A.

关键词： tungsten(I)-eompound synthesis structure IR spectra

Synthesis and Crystal Structure of [Cd(NBA)(μ_3-OH)(4,4′-bipy)_(1/2)]_n

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Chinese Journal of Structural Chemistry 2007年第8期26卷 917-919页

作者： SHEN Yi-Cheng ZHANG Jian LI Zhao-Ji ZHANG Lei YIN Pei-Xiu yao yuan-gen State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter The Chinese Academy of Sciences Fuzhou Fujian 350002 China

A new cadmium polymer [Cd（NBA）（μ3-OH）（4,4＇-bipy）1/2]n 1 （NBA=m-nitrobenzoic acid and 4,4＇-bipy=4,4-bipyridine） has been synthesized by hydrothermal reaction. Its structure was determined by single-crystal X-ray diffraction method, and characterized by elemental analysis and IR spectrum. The crystal is of monoclinic, space group C2/c, with a=15.6912（9）, b=25.9394（15）, c=6.7332（4）A, β=114.7700（10）°, V=2488.4（3）A^3, C12H9CdN2O5, Mr=373.61, Z=8, Dc=1.995 g/cm^3,μ=1.776 mm^-1, F（000）=1464, R=0.0411 and wR=0.1128 for 2130 observed reflections （I 〉 2σ（I））.X-ray diffraction studies reveal that the compound features a layered structure, in which 4,4＇-bipy ligands bridge Z type of double chains [Cd（μ3-OH）]n and NBA ligands locate at the two sides of the layer. The π-π interactions between the benzene rings of NBA ligands of two adjacent layers lead to the 3D framework.

关键词： cadmium polymer 4 4'-bipyridine m-nitrobenzoic acid crystal structure

Three Novel Luminescent Zinc(Ⅱ)Compounds Constructed by Employing Mixed-ligand Strategy

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Chinese Journal of Structural Chemistry 2021年第9期40卷 1152-1160,1108页

作者： ZHU Kun YANG Jin-Xia QIN Ye-Yan yao yuan-gen Key Laboratory of Coal to Ethylene Glycol and Its Related Technology Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002China University of Chinese Academy Sciences Beijing 100039China

Three novel coordination polymers,[Zn(suc)(o-bix)]_(n)(1),[Zn(suc)(m-bix)·H_(2)O]_(n)(2)and[Zn_(2)(suc)_(2)(p-bix)_(2)·4H_(2)O]_(n)(3)(H_(2)suc=succinic acid,o-bix=1,2-bis(imidazol-1-ylmethyl)-benzene,m-bix=1,3-bis(imidazol-1-ylmethyl)-benzene,p-bix=1,4-bis(imidazol-1-ylmethyl)-benzene),have been synthesized and structurally characterized by elemental analysis,IR spectroscopy,thermogravimetric analysis,powder X-ray diffraction,and single-crystal X-ray *** three coordination polymers present various structures originated from auxiliary N-donor ligands with different *** 1 shows a 2D network with 4^(4)-sql *** 2 exhibits an infinite chain,and the adjacent chains are extended into a 2D sheet by π-πstacking *** the conformation of the N-donor ligand leads to 3 featuring a 3D framework with a novel 4-connected(6^(5)·8)*** addition,the solid-state photoluminescent properties of compounds 1~3 are investigated.

关键词： zinc(Ⅱ)compounds hydrothermal reaction aliphatic dicarboxylates mix-ligand luminescence

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Synthesis and Crystal Structure of [La(BTC)(H_2O)_6]_n

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Chinese Journal of Structural Chemistry 2005年第12期24卷 1440-1444页

作者： WEN Yi-Hang CHENG Jian-Kai FENG Vun-Long ZHANG Jian LI Zhao-Ji yao yuan-gen State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter The Chinese Academy of Sciences Fuzhou Fujian 350002 China Institute of Physical Chemistry Zhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces Zhejiang Normal University Jinhua 321004 China Graduate School of the Chinese Academy of Sciences Beijing 100039 China

The title compound, [La（BTC）（H2O）6]n1 （H3BTC = benzene-1,3,5-tricarboxylic acid）, has been synthesized by the hydrothermal reaction of La（NO3）3·3H2O with H3BTC and Na2CO3, and its structure was determined by single-crystal X-ray diffraction. The crystal structure is of monoclinic, space group Cc with a = 11.5289（3）, b = 18.0383（7）, c = 7.3507（3） A, β= 119.5680（10）°, V = 1329.59（8）A^3, C9H15LaO12, Mr = 454.12, Z = 4, Dc = 2.269 g/cm^3,μ = 3.280 mm^-1, Flack parameter = 0.07（4）, F（000） = 888, R = 0.0316 and wR = 0.0774 for 1312 observed reflections（I〉 2σ（I））. Complex 1 features a one-dimensional （l-D） parallel ribbon-like structure. There are extensive hydrogen-bonding interactions involving coordinated water molecules and free carboxylate oxygen atoms. In addition, π-π interactions via benzoic multicarboxylate ligands are discussed. These non-covalent interactions lead to the formation of a 3-D framework.

关键词： hydrothermal reaction ribbon-like non-covalent interactions

Synthesis and Crystal Structure of (H_3O)_2[Cu_3Cl_3(H_2O)_3(NC_9H_(12.5)O_6)_2]

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Chinese Journal of Structural Chemistry 2005年第11期24卷 1302-1305页

作者： ZHANG Rui-Bo ZHANG Jian WEN Yi-Hang CHENG Jian-Kai LI Zhao-Ji yao yuan-gen State Key Laboratory of Structural Chemistry Fujian Institute of Research on theStructure of Matter The Chinese Academy of Sciences Fuzhou Fujian 350002 China

The new compound, （H3O）2[Cu3Cl3（H2O）3（NC9H12.5O6）2] 1, has been synthesized by the hydrothermal reaction and its structure was determined by single-crystal X-ray diffraction. The crystal is of hexagonal, space group P6 3/m with a = 10.6975（13）, c = 14.881 （3） A, V = 1474.8（4） A^3, C18H31Cl3Cu3N2O15·2（H3O）, Mr = 850.47, Z = 2, Dx = 1.915 g/cm^3, μ= 2.495 mm^-1, F（000） = 866, R = 0.0517 and wR = 0.0900 for 537 observed reflections （1 〉 2a（Ⅰ））. This compound contains two oxonium ions and one [Cu3Cl3（H2O）3（H0.5ntp）2]^2- anion （ntp = nitrilotripropanoato）, in which two tridentate ntp ligands connected by three copper（Ⅱ） ions enclose a cage-like unit. Each copper（Ⅱ） ion is coordinated by one water molecule, one chloride ligand and two carboxylate oxygen atoms from two ntp ligands assume a slightly distorted square-planar geometry. There are O-H…Cl hydrogen bonding interactions between unligated oxonium ions and ligated chlorine atoms of the units resulting in two-dimensional sheets and wheel-like three-dimensional interpenetrating frameworks.

关键词： nitrilotripropionic acid copper compound cage-like structure

A Zn(II) 5-Aminoisophthalate Coordination Polymer

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Chinese Journal of Structural Chemistry 2007年第5期26卷 529-532页

作者： TANG En DAI Yu-Mei LI Zhao-Ji WANG Xiao-Qin YIN Pei-Xiu yao yuan-gen State Key Laboratory of Structural Chemistry Fujian Institute of Research on theStructure of Matter The Chinese Academy of Sciences Fuzhou Fujian 350002 China State Key Laboratory of Coordination Chemistry Nanjing University Nanjing 210093 China College of Chemistry ＆ Material Science FujianNormal University Fuzhou Fujian 350007 China

The title compound, [Zn（AIP）（4,4-bipy）0.5（H2O）]n·0.75nH2O 1, was synthesized via the hydrothermal reaction of Zn（OAc）2 with 5-aminoisophthalic acid （H2AIP） and characterized by elemental analysis and infrared spectra. The complex crystallizes in monoclinic system, space group P21/c with a = 12.672（1）, b = 7.6557（4）, c = 16.181（1）A, β = 109.187（2）°, V = 1482.6（2）A^3, Z = 1, C52H52N8O23Zn4, Mr = 1418.58, Dc = 1.589 g/cm^3, F（000） = 724 and μ（MoKα） = 1.685mm-1. The final R = 0.0702 and wR = 0.1524 for 1847 observed reflections with Ⅰ〉 2σ（Ⅰ）, and R = 0.0873 and wR = 0.1664 for all data. X-ray diffraction studies reveal that the title compound has an interesting 2D microporous architecture with guest water molecules inside the channel.

关键词： hydrothermal reaction crystal structure Zn(Ⅱ) complex 5-aminoisophthalic acid

A Co(II) 3,5-Diaminobenzoate Coordination Polymer

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Chinese Journal of Structural Chemistry 2006年第8期25卷 971-974页

作者： DAI Yu-Mei TANG En LI Zhao-Ji WANG Xiao-Qin YIN Pei-Xiu yao yuan-gen College of Chemistry ＆ Material Science Fujian Normal University Fuzhou 350007 China State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter The Chinese Academy of Sciences Fuzhou Fujian 350002 China College of Chemistry ＆ Chemical Engineering Fuzhou University Fuzhou 350002 China

The title compound, [Co（C7N2H7O2）2]n·nH2O 1, was synthesized via the hydrothermal reaction of Co（OAc）2 with 3,5-diaminobenzoic acid and characterized by elemental analysis and infrared spectra. The crystal crystallizes in the monoclinic system, space group P21/c with a = 7.456（3）, b = 9.972（3）, c = 10.391（3）A, β= 106.435（2）°, V = 741.0（4） A^3, Z = 2, C14H16CoN4O5, Mr = 379.24, Dc = 1.700 g/cm^3, F（000） = 390 and μ（MoKa） = 1.194 mm^-l. The final R = 0.0324 and wR = 0.0886 for 1516 observed reflections with I 〉 2σ（I） and R = 0.0337 and wR = 0.0899 for all data. X-ray diffraction studies reveal that the title compound has an interesting 3D microporous architecture with guest water molecules inside the channel. Each Co atom, adopting a distorted octahedral geometry, is coordinated by two O atoms from two 3,5-diaminobenzoate ligands and four N atoms from four symmetry-related 3,5-diaminobenzoate ligands.

关键词： hydrothermal reaction crystal structure Co(Ⅱ) complex 3,5-diaminobenzoic acid

Synthesis and Crystal Structure of a New One-dimensional Double Helical-chain Polymer, {Zn(O_2CC_(12)H_8CO_2)(H_2O)}_n

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Chinese Journal of Structural Chemistry 2005年第10期24卷 1107-1110页

作者： YIN Pei-Xiu ZHANG Jian WEN Yi-Hang CHENG Jian-Kai LI Zhao-Ji yao yuan-gen State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter The Chinese Academy of Sciences Fuzhou Fujian 350002 China

A new zinc polymer, {Zn（O2CC12H8CO2）（H2O）}, or {Zn（DPHA）（H2O）}n （O2CC12H8CO2, DPHA = 1,1′ -biphenyl-2,2′-dicarboxylate dianion） has been synthesized under hydrothermal conditions. The crystal is of monoclinic, space group P21/c with a = 12.8418（5）, b = 5.9505（2）, c = 17.2989（5） A, β = 104.020（2）°, V = 1282.52（8） A^3, C14H10O5Zn, Mr= 323.61, Z = 4, Dc = 1.676 g/cm^3,μ = 1.930 mm^-1, F（000） = 656, R = 0.0766 and wR = 0.1871 for 1775 observed reflections （I 〉 2σ（I））. It consists of Zn2（DPHA）2（H2O）2 units, which are further extended into a one-dimensional double helical-chain polymer via Zn-O bonding. The hydrogen bonding interactions extend the helical chains into a two-dimensional layer structure.

关键词： zinc polymer DPHA ligand one-dimensional double helical-chain,two-dimensional layer structure

A 2-D Copper Coordination Polymer[Cu(4,4'-bpy)(H_(2)O)_(4)](C_(4)H_(2)O_(4))(H_(2)O)_(4)Integrated by Hydrogen Bonds and VDW Interactions

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Chinese Journal of Structural Chemistry 2004年第8期23卷 862-864页

作者： KANG yao LI Zhao-Ji QIN Ye-Yan CHEN Yu-Biao ZHANG Jian HU Rui-Feng WEN Yi-Hang CHENG Jian-Kai yao yuan-gen State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of MatterThe Chinese Academy of SciencesFuzhouFujian 350002China

The title compound, [Cu(4,4-bpy)(H2O)4](C4H2O4)(H2O)4 1, has been syn- thesized by the reaction of Cu(NO3)23H2O with 4,4-bipyridine and fumaric acid, and structurally characterized by X-ray diffraction analysis. Its crystal structure belongs to monoclinic, space group C2/c with a = 16.6350(5), b = 11.1667(2), c = 13.1371(4) ? = 125.144(1), C14H26CuN2O12, Mr = 477.91, Z = 4, V = 1995.47(9) 3, Dx = 1.591 g/cm3, m = 1.160 mm-1, F(000) = 996, R = 0.0331 and wR = 0.0883 for 1765 observed reflections (I > 2(I)). A two-dimensional network is formed in complex 1 through the hydrogen bonds and VDW interactions.

关键词： copper 4,4'-bipyridine fumaric acid a chain coordination polymer