Syntheses,crystal structures,and quantum chemistry calculation of two Ni(Ⅱ)coordination polymers

Two new coordination polymers,[Ni(Hpdc)(bib)(H_(2)O)]_(n)(1)and{[Ni(bib)_(3)](ClO_(4))_(2)}_(n)(2),were prepared by mixing Ni^(2+),3,5⁃pyrazoledicarboxylic acid(H3pdc)/p⁃nitrobenzoic acid and 1,4⁃bis(imidazol⁃1⁃ylmethyl)butane(bib)by a hydrothermal method,respectively.X⁃ray crystallography reveals a 2D network constructed by six⁃coordinated Ni(Ⅱ)centers,bib,and Hpdc2-ligands in complex 1,while a 2D network is built by Ni(Ⅱ)and bib ligands in 2.Furthermore,the quantum⁃chemical calculations have been performed on‘molecular fragments’extracted from the crystal structure of 1 using the PBE0/LANL2DZ method in Gaussian 16 and the VASP program.CCDC:2343794,1;2343798,2.

Synthesis, Structure and Luminescent Property of a 2D Cd(Ⅱ) Coordination Polymer Based on Mixed-ligands of 1,3-Bis(imidazol)propane and Pyridine-3,5-dicarboxylic Acid

A new Cd（Ⅱ） coordination polymer, namely, [Cd（1,3-bip）（3,5-pdc）]n （1,3-bip = 1,3-bis（imidazol）propane and 3,5-pdc = pyridine-3,5-dicarboxylic acid） has been synthesized under hydrothermal conditions. Compound 1 was characterized by infrared spectrum, elemental analysis, powder X-ray diffraction （PXRD） and single-crystal X-ray diffraction analysis. It crystallizes in monoclinic, space group P21/c with a = 1.40178（7）, b = 1.72502（12）, c = 1.41635（6） ran, β = 92.653（4）°, V = 3.4212（3） nm3, Z = 4, C16HIsCdNsO4, Mr = 453.73, Dc = 1.762 g/cm3, F（000） = 1808,μ = 1.310 mm1, R = 0.0899 and wR = 0.1945. In compound 1, each 3,5-pdc ligand links three Cd（lI） ions and each Cd（Ⅱ） attaches to bip ligands to form a complicated 2D double-layer structure. In addition, the thermal stability and luminescent property of 1 have been studied in the solid state at room temperature.

A New 2D Zinc(Ⅱ) Coordination Polymer Constructed by Imidazole-4,5-dicarboxylic Acid(H_3IDC) and 1,4-Bis(imidazol-1-ylmethyl)-benzene(bix)

A new 2D Zn（Ⅱ） coordination polymer [Zn（HIDC）（bix）0.5]n（1） was obtained by the hydrothermal reaction of ZnCl2,imidazole-4,5-dicarboxylic acid（H3IDC） and 1,4-bis（imidazol-1-ylmethyl）-benzene（bix） with a 2：2：1 mole ratio.X-ray diffraction crystal structural analysis reveals it crystallizes in monoclinic,space group P21/n with a = 12.125（3）,b = 10.541（3）,c = 12.484（3） ,β = 115.834（4）°,V = 1436.0（6） 3,Mr = 338.60,Z = 4,Dc = 1.566 Mg·m-3,F（000） = 684,μ（MoKα） = 1.730 mm-1,the final R = 0.0439 and wR = 0.0888 for 2101 observed reflections with I ≥ 2σ（I）.In 1,each zinc（Ⅱ） ion is five-coordinated with a slightly distorted trigonal bipy-ramidal coordination geometry,and each μ2-HIDC2-acts as a bridge to bond two neighboring Zn（Ⅱ） ions,leading to a 1D zigzag chain architecture.The adjacent zigzag chains are further linked by μ2-bix to form an infinite 2D network structure.The fluorescence spectrum of 1 exhibits intense emission at 466 nm when excited at 397 nm in solid state at room temperature.

Crystal Structure, Electrochemical and Fluorescent Properties of a New Copper(Ⅱ) Coordination Polymer with 2,3-Pyridinedi-carboxylic Acid

A new copper(Ⅱ)coordination polymer[Cu5(Hpt)5(H2O)2(2,3-PCA)2]n·12nH2O(1)has been successfully synthesized under hydrothermal conditions with copper hydroxide,3-(pyridin-2-yl)-1,2,4-triazole(Hpt)and 2,3-pyridinedi-carboxylic acid(2,3-PCA).The structure of the title compound was determined by X-ray diffraction analyses,elemental analyses and IR spectrum.The architecture of 1 consists of one-dimensional sandwich-like chains which are connected by extensive hydrogen bonding interactions.The solid-state photoluminescence displays an obvious emission band at 384 nm upon excitation at 340 nm.In addition,electrochemistry property has also been studied.

Synthesis, Crystal Structure and Photoluminescence of a Zn(Ⅱ) Coordination Polymer Derived from 1,1'-Biphenyl-2,2',6,6'-tetracarboxylic Acid

A new polymeric znic（II） coordination polymer, [Zn2（bptc）·（H2O）4]n·nC H3 OH 1, was synthesized by the hydrothermal reaction of Zn（NO3）2·6H2O with 1,1＇-biphenyl-2,2＇,6,6＇-tetracarboxylic acid（H4bptc） and structurally characterized by single-crystal diffraction, IR and elemental analysis. The polymer crystallizes in the orthorhombic system, space group Pnna with a = 13.411（1）, b = 16.418（2）, c = 9.178（7）, V = 2025.2（3） 3, Z = 4, C17H14O13Zn2, Mr = 557.06, Dc = 1.827 g/cm3, F（000） = 1120, μ（MoK α） = 2.439 mm-1. The final R and wR are 0.0548 and 0.1691 for 1279 observed reflections with I 2（I）. In this compound, the bptc4- anion adopts monodentate bridging coordination modes connecting the zinc（II） ions to form a 1D chain structure, which furnishes a 2D supramolecular architecture through hydrogen bonding interactions formed by carboxylic oxygen atoms of bpdc, oxygen atoms of crystalline methanol and water molecules. Complex 1 displays an emissive maximum at 435 nm in the solid state at room temperature.

Construction of a Set of Cadmium(Ⅱ) Coordination Polymers with Atza and 2,2′-Bipy or 1,10-Phen Ligands (Atza=5-Aminotetrazole-1-acetato Anion)

Reactions of CdX2（X=NO3-, ClO4-） with Hatza （atza=5-aminotetrazole-1-acetato anion） and 2,2′-bipyridine （2,2′-bipy） or 1,10-phenanthroline （1,10-phen） in a methanol/aqueous solution produced a set of new Cd（Ⅱ） coordination polymers, {[Cd（atza）（H2O）（2,2′-bipy）]ClO4}n （1）, {[Cd（atza）（H2O）（1,10-phen）]ClO4 }n （2）, {[Cd（atza）（H2O）（2,2′-bipy）]NO3}n （3） and {[Cd（atza）2 （1,10-phen）]·0.5H2O}n （4）. Single-crystal X-ray diffraction analysis reveals that each Cd（Ⅱ） ion has a distorted octahedral coordination geometry in 1-4, and the Cd（Ⅱ） ion centers are connected through the tridentate atza bridging ligands to form a 2D layer （1-3） or ID chain （4） structure. The fluorescent properties of 2 and 4 are also discussed.

A Two-dimensional Anthracene-9,10-dicarboxylate Zinc(Ⅱ) Coordination Polymer Based on Binuclear [Zn_2Cl_2] Nodes: Synthesis, Characterization and Luminescent Properties

A two-dimensional（2D） 44 topological ZnⅡ coordination polymer {[Zn2Cl2（L）（4bpy）2]}∞（H2L = anthracene-9,10-dicarboxylic acid, 4bpy = 4,4ˊ-bipyridine） based on binuclear [Zn2Cl2] nodes has been synthesized and characterized by IR, elemental analysis, X-ray powder diffraction and single-crystal X-ray diffraction analysis. Moreover, the luminescent properties of the correspon- ding compound have been briefly investigated.

Synthesis and Crystal Structure of a New Mn(Ⅱ) Coordination Polymer Based on Asymmetric Semi-rigid V-shaped Dicarboxylate

A novel manganese（Ⅱ） coordination polymer with 2-（4-carboxyphenoxy） benzoic acid （2,4＇-H2oba） and 1,10-phenanthroline （1,10-phen） has been prepared by hydrothermal synthesis and characterized by single-crystal X-ray diffraction, IR and elemental analysis. Compound [Mn（2,4＇-oba）（1,10-phen）] is of monoclinic system, space group P21/n with a = 7.960（1）, b = 15.464（2）, c = 18.703（3）A, β = 99.976（2）°, V = 2267.5（6） A^3, Z = 4, Mr = 491.35, Dc = 1.439 g/cm^3, F（000） = 1004 and μ = 0.623 cm·1. The final R = 0.0419 and wR = 0.0978 for 3444 observed reflections with I 〉 2σ（I）. X-ray diffraction analysis reveals that the oba2-ligands adopt a bis（chelating bidentate） mode to link two Mn（Ⅱ） centers to form an infinite 1D helical chain. Furthermore, a 3D supramolecular structure was formed by π-π stacking interactions and hydrogen bonds.

A One-dimensional Cd(Ⅱ)Coordination Polymer Constructed from 1,4-Benzene-dicarboxylic Acid and 3-(2,6-Di(pyrazin-2-yl)pyridin-4-yl)-1H-indole:Synthesis,Structure and Photoluminescence

A new coordination polymer {[Cd（C_（21）H_（14）N_6）（C_8H_4O_4）]·H_2O}_n（1） was synthesized by an elaborate design via the reaction of 3-（2,6-di（pyrazin-2-yl）pyridin-4-yl）-1H-indole（bppi）,1,4-benzene-dicarboxylic acid（H2bdc） and cadmium（Ⅱ） nitrate in CH_3OH/H_2O mixed solvents. Complex 1 crystallizes in orthorhombic,space group Ccca with a = 20.012（4）,b = 31.881（6）,c = 19.808（4） ？,V = 12638（4） ？~3,Z = 16,C_（29）H_（20）CdN_6O_5,M_r = 644.91,D_c = 1.356 g·cm^（-3）,μ = 0.735 mm^（-1）,F（000） = 5184,GOOF = 1.046,the final R = 0.0405 and wR = 0.1063 for 6870 observed reflections（I 〉 2σ（I））. The Cd（Ⅱ） centre is hepta-coordinated by three N and four O atoms from one bppi terminal ligand and two bdc2– ligands,respectively,displaying a capped trigonal prism geometry. Structure extension gives coordination polymeric chains,in which the bdc2– linkers connect Cd（Ⅱ） cations into a one-dimensional（1D） coordination polymer along the c axis,giving zigzag chains with the Cd···Cd separation of 11.178（1） ？. The adjacent bppi terminal ligands in the chains are anti-periplanar conformation. The three-dimensional（3D） structure is stabilized by π···π stacking and hydrogen-bonding interactions to form a supramolecular self-penetrating network with 1D channels. In 1,there are voids 2999.7 ？~3 with 23.7% of per unit cell volume. Thermal analysis indicates that the framework of 1 is stable until 651 K and the photoluminescence of 1 in the solid shows very weak fluorescence at 382 and 560 nm upon excitation at 310 nm.

A Novel Three-dimensional Mn(Ⅱ) Coordination Polymer Constructed from Biphenyl-3,3',5,5'-tetracarboxylic Acid and Water

The title Mn（Ⅱ） coordination polymer,poly{[heptaaqua-（μ4-bi-phenyl-3,3？,5,5？-tetracarboxylate）-bimanganese（Ⅱ）] pentahydrate},[Mn_2（bpta）（H_2O）_7]_n·5n H_2O（I）,is crystallized from a mixture of biphenyl-3,3？,5,5？-tetracarboxylic acid（H_4bpta） and MnCl_2·4H_2O in waterethanol under room temperature. Its asymmetric unit consists of one and two halves of crystallographically independent Mn（Ⅱ） cations,one fully deprotonated H4 bpta ligand,seven coordinated water molecules and five solvent water as guest molecules. In I,each Mn（Ⅱ） atom is octahedrally coordinated by six oxygen atoms from bpta^（4-） anions and coordinated water molecules. In the Mn（Ⅱ） cations,one half Mn（Ⅱ） ion of them located at a 2-fold axis generating a trinuclear [Mn_3（H_2O）_2（RCOO）_2] linker by μ1,1-O（water） and μ1,3-O,O？（carboxylate） bridges and another half Mn（Ⅱ） ion with an inversion is a mononuclear linker. These neighbouring trinuclear and mononuclear Mn（Ⅱ） cations are linked together by biphenyl-3,3？,5,5？-tetracarboxylates to form a three-dimensional framework with a（42.84） topology of a（4,4）-connected net,in which the positions of the trinuclear [Mn_3（H_2O）_2（R-COO）_2] linker as a 4-connector linking four bpta^（4-） ligands in I reproduce an eagle-shaped arrangement. The polymeric structure exhibits a water channel with an accessible void of 797.1 ？~3,amounting to 15.7% of the total unit-cell volume. Each of the cavities in the network is occupied by solvent water molecules.

Syntheses, Crystal Structures, and Magnetic Properties of Mn(Ⅱ) and Co(Ⅱ) Coordination Polymers Constructed from Pyridine-tricarboxylate Ligand

Two coordination polymers, namely {[Mn（HL_1）（phen）]·4H_2O}_n（1） and [Co_2（HL_2）_2（H_2O）_2]_n（2） have been constructed hydrothermally using H_3L_1 and H_3L_2（H_3L_1 = 2-（5-carboxypyridin-2-yl）terephthalic acid, H_3L_2 = 2-（4-carboxypyridin-3-yl）terephthalic acid）, phen, MnCl_2×4H_2O and CoCl_2×6H_2O. The products were isolated as stable crystalline solids and were characterized by IR spectroscopy, elemental, thermogravimetric（TGA）, powder（PXRD） and single-crystal X-ray diffraction analyses. Compound 1 features a 3D framework structure, which was topologically classified as a trinodal 4,6,6-connected net with the unique topology defined by the point symbol of（3^（10）.5.6~4）4（3^（10）.6.7~4）2（5.6~2.8~2.9）. Compound 2 possesses a 2D metal-organic layer, which was topologically classified as a binodal 4,4-connected layer defined by the point symbol of（4~3.6~2.8）. The layers are further extended into a 3D supramolecular framework via hydrogen bonds. The magnetic properties for both compounds were also investigated, indicating antiferromagnetic interactions between the adjacent metal ions.

Syntheses and Crystal Structures of Two Copper(Ⅱ) Coordination Polymers Derived from Aromatic Carboxylic Acids and Bis(imidazoles)Ligands

Two compounds have been obtained by the reaction of metal（Cu（II））, 4,4＇-bis（imidazol-l-yl）diphenyl thioether（BIDPT） with two carboxylic acids, 4,4＇-oxydibenzoic acid（H2oba） and phthalic acid（H2pht）. The crystal structures of the resulting compounds, namely {[Cu（BIDPT）（oba）]·H2O}n（1） and {Cu（BIDPT）（pht）}n（2）, have been determined by single-crystal X-ray diffraction analysis. Compound 1 is of orthorhombic system, space group Pbcn with a = 27.8310（3）, b = 10.7791（1）, c = 19.3913（2）A, V = 5817.0（3） ？3 and Mr = 656.15. Compound 2 belongs to the monoclinic system, space group C2/c with a = 18.2678（2）, b = 11.0259（1）, c = 22.906（2） A, β = 97.727（2）o, V = 4571.8（8） A3 and Mr = 545.04. Structural analyses reveal that compounds 1 and 2 respectively exhibit two-dimensional（2D） wavy and corrugated layer structures. Through intermolecular hydrogen bonding, compound 1 is assembled into a 3D supramolecular structure. The thermal stability and ultraviolet spectroscopy properties of the two compounds are also investigated.

Synthesis and Characterization of a New 3D Pillared Bilayer Cd(Ⅱ) Coordination Polymer Based on 6,6?-Dinitro-2,2?,4,4?-biphenyltetracarboxylic Acid

A new 3D Cd（II） coordination polymer, [Cd2L（dpe）]n （1, HaL = 6,6＂-dinitro-2,2＂,4, 4＂-biphenyltetracarboxylic acid, dpe = 1,2-di（4-pyridyl）ethylene）, has been synthesized using the hydrothermal method and characterized by single-crystal X-ray diffraction, elemental analysis, IR, thermogravimetric analysis, and photoluminescent analysis. Complex 1 crystallizes in the monoclinic system, space group C2/c with a = 8.0006（15）, b = 23.900（5）, c = 14.836（3） A, fl = 95.723（3）°, V = 2822.7（10） A3, Z = 8, Dc = 1.937 Mg.m3, p = 1.581 mm-1, F（000） = 1608, the final R = 0.0231 and wR = 0.0629 for 2239 observed reflections with I 〉 2a（/）. Complex 1 is a 3D pillared bilayer （4,5,7）-connected net with the Schlfli symbol of （4^14·6^7） （4^2·6^5·8^3） （4^4·6^2） topology. The photoluminescent property of 1 is also investigated.

A New Two-dimensional Cd(Ⅱ) Coordination Polymer Constructed by Pyridine-2,5-dicarbohydrazide

A new two-dimensional Cd（Ⅱ） coordination polymer, [Cd（2,5-pdch）（H2O）]n·2n（ClO4）·nH2O （2,5-pdch = pyridine-2,5-dicarbohydrazide）, was prepared and characterized by elemental analysis, IR spectra and single-crystal X-ray diffraction analysis. The crystal belongs to monoclinic, space group P21/c with a = 10.905（2）, b = 11.602（1）, c = 15.034（2） A, β = 117.794 （10°, V = 1682.8（4A3, Z = 4, C7H13CdCl2NsO12, Mr = 542.52, Dc = 2.141 g/cm^3,/μ = 1.691 mm^-1, F（000） = 1072, 2（MoKa） = 0.71073A, the final R = 0.0608 and wR = 0.1329 for 2972 observed reflections with I 〉 2σ（I）. Single-crystal X-ray diffraction analysis reveals that the Cd（Ⅱ） atom displays a distorted pentagonal-bipyramidal geometry coordinated by three N atoms and three O atoms from three different 2,5-pdch ligands, and one water molecule. Interestingly, each two Cd（Ⅱ） atoms are bridged by two carbohydrazide groups of the 2,5-pdch ligands to form a dimeric unit, and such dimeric units are further connected by the 2,5-pdch ligand to generate a two-dimensional （4,4）-network.

A Novel 6-Connected Self-interpenetrated Zn(Ⅱ) Coordination Polymer Based on 1,4-Bis(2-methylimidazole-3-ium-1-yl)biphenyl and Dicarboxylate Ligand: Synthesis, Crystal Structure and Luminescent Property

A novel coordination polymer {[Zn2（pda）2（bmp）1.5]·2H2O}n（1, H2 pda = 1,4-phenyl enediacetic acid and bmp = 1,4-bis（2-methy limidazol-3-ium-1-yl）biphenyl） was synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction analyses and further characterized by elemental analyses, IR spectroscopy and powder X-ray diffraction（PXRD）. Complex {[Zn2（pda）2（bmp）1.5]·2H2O}n（1） is of triclinic system, space group P1 with a = 10.132（5）, b = 11.854（5）, c = 18.784（5） A, α = 80.256（5）, β = 75.163（5）, γ = 75.620（5）°, Z = 2, V = 2099.0（15） A3, Mr = 908.54, Dc = 1.437 g/cm^3, F（000） = 938 and μ = 1.206 mm-1. The final R = 0.0541 and wR = 0.1397 for 8017 observed reflections with I 2σ（I）. Complex 1 displays a three-dimensional（3D） self-interpenetrated 6-connected topological net with point symbol（48.67）. Furthermore, the luminescent property of complex 1 was investigated in the solid state at room temperature.

Syntheses,Structures and Characterizations of Two New Zinc(Ⅱ) Coordination Polymers Constructed from 3-(1H-Pyrazol-4-yl)-5-(pyridin-2-yl)-1,2,4-triazole and Different Carboxylate Ligands

Two new zinc（Ⅱ） coordination polymers, [Zn（ph）（H2 L）·H2O]2 n（1） and [Zn（ip）（H2 L）-（H2O）]n（2）（H2 ph = phthalic acid, H2 ip = isophthalic acid, H2L = 3-（1 H-pyrazol-4-yl）-5-（pyridin-2-yl）-1,2,4-triazole）, have been successfully synthesized via hydrothermal reaction. It has been structurally characterized by X-ray single-crystal analysis, IR spectra, fluorescence spectroscopy and thermogravimetry analysis. The single-crystal X-ray diffraction studies reveal that compounds 1 and 2 both exhibit 1D chain structures, and assemble into 2D and 3D supermolecules through hydrogen bonds or π-π interactions. Moreover, the thermal stability and luminescent properties of compounds 1 and 2 were also studied.

Synthesis and Crystal Structure of a New Cadmium(Ⅱ) Coordination Polymer with Ethylenediaminetetraacetic Acid

A new cadmium（Ⅱ） coordination polymer,namely,[KCd2（edta）I]n（1,H4edta = ethylenediaminetetraacetic acid）,has been prepared and structurally characterized by single-crystal X-ray diffraction.Crystallographic data for 1：C10H12Cd2IKN2O8,Mr = 679.02,monoclinic,space group P21/n,a = 9.870（5）,b = 8.989（4）,c = 19.082（10） ,β = 104.581（10）o,V = 1638.5（13） 3,Z = 4,Dc = 2.753 g/cm3,μ = 4.776 mm-1,F（000） = 1272,the final R = 0.0473 and wR = 0.1311 for 2846 observed reflections with I 〉 2σ（I）.Polymer 1 features a 2-D layered structure,in which each edta4-ligand chelates/bridges five adjacent six-/seven-coordinated Cd（Ⅱ） centers with all ten donors（eight oxygen and two nitrogen） involved with coordination.Additional iodide I-ions as counterions are bound to the Cd（Ⅱ） centers in a terminal mode and the potassium K＋ ions are located in the layers and surrounded by O and I atoms from neighboring environment.The thermal stability of 1 has been discussed.

Synthesis, Crystal Structure and I2 Capture of a Cd(Ⅱ) Coordination Polymer Based on a Linear Bipyridyl Benzene Ligand

A new complex with formula [Cd（3-pbpmb）2 I2]n 1（3-pbpmb = 1,4-bis（pyridine-3-ylmethoxy）benzene）, has been solvothermally synthesized and characterized. The crystal belongs to monoclinic system, space group P21/n with a = 8.2905（17）, b = 16.078（3）, c = 13.213（3）A, β = 99.44（3）°, Mr = 950.86, V = 1737.3（6） A^3, Z = 2, Dc = 1.818 g/cm^3, F（000） = 924, m = 2.450 mm（-1）, the final R = 0.0198 and w R = 0.0467 for 3053 observed reflections（I ＆gt; 2σ（I））. The Cd（Ⅱ） ion is coordinated by four N atoms of four 3-pbpmb ligands and two iodine ions to furnish a distorted octahedral coordination geometry. The Cd（Ⅱ） ion and its own symmetry-related ions are bridged by N atoms from two 3-pbpmb ligands to generate a ＂zigzag＂ 1-D chain coordination polymer. These 1D chains are further connected into a three-dimensional（3D） framework by C–H×××pinteractions and intermolecular C–H×××I hydrogen bond. Interestingly, 1 displays efficient sorption of molecular iodine gas（up to 111 wt%）, but invalid sorption of molecular water gas.

A New 3D Pb(Ⅱ) Coordination Polymer [Pb(L)]_n Based on a Long Flexible Octane-1,8-dicarboxylic Acid:Crystal Structure and Physical Properties

A new Pb（II）-based coordination polymer, [Pb（L）]n （1）, was hydrothermally synthesized and its structure was determined by single-crystal X-ray diffraction （H2L = octane- 1,8-dicarboxylic acid）. Compound 1 crystallizes in orthorhombic, space group Pnma with a = 32.061（4）, b = 7.2597（8）, c = 4.8084（5） A, V= 1119.2（2） A3, Z = 4, C10H1604Pb, Mr = 407.42, Dc = 2.418 g/cm3, F（000） = 760, μ（MoKa） = 15.066 mm-1, R = 0.0270 and wR = 0.0666. In 1, each Pb（II） cation is coordinated by six carboxylate oxygen atoms from four L2- anions. Each L2- anion bridges three Pb（ll） atoms in a μ3：η2：η1：η1 mode to form a 3D framework. The structure of 1 was characterized by IR spectrum and thermogravimetric analysis. Moreover, solid state luminescent property of 1 was also investigated.

Synthesis and Crystal Structure of a Cadmium(Ⅱ) Coordination Polymer:[Cd_2Cl_4(bpme)]_n·n(2H_2O)

A novel coordination polymer, [Cd2Cl4（bpme）]n·n（H2O） （1, bpme=2,5-bis（be-nzoimidazol-2-yl）pyrazine）, has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction. The crystal of the complex belongs to the triclinic system, space group P , with a=7.0737（9）, b=8.7886（11）, c=9.4561（12） , α=105.3580（10）, β=94.981（2）, γ=96.879（2）°, V=558.46（12） 3, Mr=714.97, Z=1, F（000）=346, Dc=2.126 g/cm3, μ=2.412 mm-1, T=296（2） K, S=1.057, R=0.0533 and wR=0.1480. According to the structural analysis, the Cd（Ⅱ） ion adopts a slightly distorted six-coordinated octahedral geometry. The Cd（Ⅱ） atoms are bridged by four Cl atoms along the a direction, forming infinite straight chains which are further constructed to generate 2D network layer structures through the μ4-N bpme ligand in the b direction, and such 2D network layer structures finally form a novel three-dimensional infinite supramolecular framework through weak π-π stacking between two network layers and hydrogen bonds.