A New 1D Cd(Ⅱ) Coordination Polymer Constructed by 2,2'-H_2biimidazole:[Cd(H_2biim)_2(SO_4)]_n·3nH_2O

A new 1D Cd(II) coordination polymer, [Cd(H2biim)2(SO4)]n·3n H2O(1, H2 biim = 2,2'-H2biimidazole), has been hydrothermally synthesized and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a = 6.8405(14), b = 17.792(4), c = 14.987(3) A, β = 92.68(3), V = 1822.1(6) A3, Z = 4, C12H18 Cd N8O7S, Mr = 530.80, Dc = 1.935 g/cm3, F(000) = 1064, μ(Mo Ka) = 1.371 mm-1, R = 0.0280 and w R = 0.0617. In 1, adjacent Cd(II) atoms are bridged by sulfate anions in bidentate modes to yield a 1D chain. H2 biim ligands are located on both sides of the chain in chelating bidentate modes. Further, the H2 biim ligands from neighboring chains are paired through π-π interactions to generate a supramolecular layer, which is stabilized by the complicated N–H···O and O–H···O hydrogen bonds. In addition, thermal behavior and luminescent property of 1 have been investigated.     

A New Porous Cadmium(Ⅱ) Complex Based on 1,10-Phenanthroline Derivative and Dicarboxylate:Syntheses,Structure, Thermal Behavior and Luminescence

A new porous Cd(Ⅱ) coordination compound, namely, [Cd(bpdc)(L)2]·3H2O(1, L = 11-fluoro-dipyrido[3,2-a:2,3-c]phenazine and bpdc = 1,1-biphenyl-2,2-dicarboxylate) was synthesized under hydrothermal conditions, and characterized by single-crystal X-ray diffraction. It crystallizes in tetragonal, space group P4122 with a = 9.8486(4), b = 9.8486(4), c = 45.925(4)A, V = 4454.5(5) 3, Z = 4, C50H29 Cd F2N8O7, Mr = 1004.21, Dc = 1.497 g/cm3, F(000) = 2028, μ(Mo Ka) = 0.562 mm-1, R = 0.0566 and w R = 0.1585. Each Cd(Ⅱ) atom is coordinated by one bpdc anion and two L ligands to give a discrete molecule. Neighboring discrete molecules are stacked by π-π interactions among L ligands, resulting in an interesting 1D supramolecular chain. Moreover, the 1D supramolecular chains are packed with each other to give a porous structure, in which an infinite channel is filled with water molecules. In addition, the thermal behavior and luminescent property of 1 have also been studied.     

Synthesis,Crystal Structure and Luminescence of a New Zn(Ⅱ) Complex [Zn(1,2,3-HBTC)(L)]_2 Constructed by Mixed Ligands

A new Zn(Ⅱ) complex,[Zn(1,2,3-HBTC)(L)]2(1,L = 2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline and 1,2,3-H3 BTC = 1,2,3-benzentricarboxylic acid),was synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction.It crystallizes in triclinic,space group P1 with a = 10.455(2),b = 11.533(2),c = 12.499(3) ?,α = 116.97(3),β = 94.08(3),γ = 103.29(3)o,V = 1280.2(4) ?3,Z = 1,C56H28Cl2F2N8O12Zn2,Mr = 1244.50,Dc = 1.614 g/cm3,F(000) = 628,μ(Mo Ka) = 1.124 mm-1,R = 0.0502 and w R = 0.1417.In compound 1,two 1,2,3-HBTC anions bridge two Zn(Ⅱ) atoms to give a dimeric structure with Zn···Zn distance of 3.15 ?.Adjacent dimers interact through π-π stackings between two L ligands to result in a supramolecular layer.Moreover,N–H···O and O–H···N hydrogen bonds further stabilize the 2D supramolecular architecture of 1.In addition,the luminescent property of 1 has been studied.     

Synthesis, Structure and Physical Property of a New 3D Lead Coordination Polymer:[Pb2(L)2(dea)]n·nH2O

A new 3D Pb(Ⅱ) coordination polymer [Pb2(L)2(dea)]n·nH2O has been hydrothermally prepared by using the long flexible decanedioic acid (H2dea) and the N-donor chelating ligand 2-(1H-l,3,7,8-tetraazacyclopenta[l]phenanthren-2-yl)naphthol (HL). Single-crystal X-ray determi- nation shows that the complex crystallizes in the monoclinic system, space group C2/c with a = 25.453(5), b = 7.5035(15), c = 27.340(6),β= 114.84(3)°, V = 4738.6(16)3, Z = 8, C28H22N4O4Pb, Mr = 685.69, Dc = 1.922 g/cm3, F(000) = 2656, μ(MoKa) = 7.166 mm-1, R = 0.0282 and wR = 0.0687. Two L ligands bridge two Pb(Ⅱ) atoms to form a dimmer, and the neighboring dimers are further linked by the dea ligands to yield a 3D structure. The IR and TG of the compound have been investigated in detail.     

Synthesis, Structure and Photoluminescence of a New Cd(Ⅱ)Coordination Polymer Based on 4-(Carboxymethoxy)-benzoic Acid and 1,10-Phenanthroline Derivative

A new 1D coordination polymer, [Cd2(L1)2(L2)2]·H2O (1, H2L1 = 4-(carboxy-methoxy)benzoic acid and L2 = 2-(4-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline), has been hydrothermally synthesized and characterized by elemental analysis and single-crystal X-ray diffraction. It crystallizes in triclinic, space group Pī with a = 9.985(5), b = 10.768(5), c = 12.512(5), α = 68.959(5), β = 80.354(5), γ = 79.663(5)°, V = 1227.4(10) 3, Z = 1, C56H36Cd2F2N8O11, Mr = 1259.73, Dc = 1.704 g/cm3, F(000) = 630, μ(MoKa) = 0.949 mm-1, R = 0.0261 and wR = 0.0655. The L1 anions link the neighboring Cd(II) atoms to form a 1D double chain structure. The L2 ligands are alternately located on both sides of the double chains. More interestingly, the lateral L2 ligands from adjacent double chains are paired to furnish strong π-π interactions, yielding a 2D supramolecular layer. N-H···O, O-H···N and O-H···O hydrogen bonds further stabilize the structure of 1. The luminescent property of 1 was studied in solid state at room temperature.     

Synthesis and Crystal Structure of a Novel Tetranuclear Zinc（Ⅱ） Coordination Polymer [Zn4（o-bda）4（p-pbim）4]n

A novel tetranuclear zinc（H） coordination polymer [Zn4（o-bda）a（p-pbim）4]n 1 （p-pbim = 4-pyridylbenzimidazole, o-bda2 = o-phenylenediacetic acid dianion） has been synthesized by a hydrothermal method and characterized by elemental analysis, IR and X-ray singlecrystal diffraction. The title complex crystallizes in monoclinic, space group of P21/n with α = 14.231（1）, b = 16.257（1）, c = 16.794（1） ]k, β = 100.26（1）°, V = 3823.1（2）A3, Z = 8, Dc = 1.573 g/cm^3,β = 1.321 mm^-1, F（000） = 1856, R = 0.0420 and wR = 0.111. The Zn（1） atom assumes a distorted trigonal bipyramidal geometry, involving three carboxyl O atoms from two different o-bda ligands and two N atoms from two p-pbim ligands. The Zn（2） atom is coordinated by two oxygens from two distinct bda2- anions and two nitrogen atoms from two p-pbim ligands to form a distorted tetrahedral geometry. The Zn（Ⅱ） atoms are alternately interlinked by o-bda ligands in bis-monodentate or chelating-bidentate and monodentate modes into one-dimensional undulate chains along axis c with the adjacent Zn…Zn distances of 8.32 and 8.47 A. Such neighboring chains are further extended into a 1D bi-chain structure with two different subrings A and B, which are 32- and 14-membered rings through interchain p-pbim ligands. There exists a 2D supramolecular network linked by intermolecular hydrogen-bonding interactions between the uncoordinated carboxylate 0（4） atom or coordinated carboxylate 0（7） atom and the uncoordinated imidazolyl N（2） and N（5） atoms with the O...N distances to be 2.695 and 2.807A.     

A New Cadmium(Ⅱ) Dimer Constructed by 1,10-Phenanthroline Derivative and Chlorine Anions: Syntheses,Crystal Structure and Photoluminescence

In this work, a new Cd(II) dimeric compound, [Cd(Cl)2(L)(H2O)]2(1, L = 2-(4-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline), has been achieved under hydrothermal conditions. The structure of compound 1 was determined by single-crystal X-ray diffraction. Compound 1 crystallizes in monoclinic, space group P21/c with a = 8.944(2), b = 18.781(5), c = 10.904(3), β = 91.392(4)°, V = 1831.2(8) 3, Z = 2, C38H26Cd2F2Cl4Cl4N8O2, Mr = 1031.27, Dc = 1.870 g/cm3, F(000) = 1016, μ(Mo Ka) = 1.513 mm-1, R = 0.0532 and w R = 0.1407. Each Cd(II) atom is in an octahedral coordination sphere, completed by two nitrogen atoms from one L ligand, two chlorine anions, and one water oxygen atom. Two chlorine anions bridge two Cd(II) atoms to give a dimer [Cd(Cl)2(L)(H2O)]2. Adjacent dimers are stacked by one type of π-π interactions among L ligands to generate a 1D supramolecular chain. Further, the 1D supramolecular chains are stacked by another type of π-π interactions among L ligands to give a 2D supramolecular layer. Finally, the luminescent property of 1 has been studied in solid state at room temperature.     

Synthesis and Crystal Structure of a New Two-dimensional Manganese Coordination Polymer： [Mn（L）（1,4-bdc）]

A new coordination polymer,[Mn(L)(1,4-bdc)] (L=11-fluoro-dipyrido[3,2-a:2,3-c]phenazine,1,4-bdc=benzene-1,4-dicarboxylate),has been synthesized through the hydrothermal method and characterized by elemental analysis,IR and single-crystal X-ray diffraction.It crystalli-zes in triclinic,space group P1 with a=9.7544(9),b=10.8254(10),c=11.5288(10),α=114.1300(10),β=96.6110(10),γ=105.0390(10)°,V=1038.62(16)3,Z=2,C 26 H 13 FMnN 4 O 4,M r=519.34,D c=1.661 g/cm 3,F(000)=526,μ(MoKa)=0.691 mm-1,R=0.0405 and wR=0.0977.The 1,4-bdc dianions link the neighboring Mn(II) atoms to yield a two-dimensional layer structure.The L ligands are attached on both sides of the layer.The π-π interactions between the L ligands of neighboring layers result in a three-dimensional supramolecular architecture.     

Syntheses, Structures and Characterization of Two New Pb~II Polymers Built on a Kinked Flexible Thiodiacetic Acid Ligand

Two new PbII metal-organic coordination polymers,namely,[Pb(tda)]n(1) and [Pb(tda)(phen)]n(2)(H2 tda = thiodiglycolic acid,phen = 1,10-phenanthroline),were synthesized under hydrothermal conditions and characterized by elemental analysis,IR,UV spectra,TG technique and X-ray crystallography.Complex 1 crystallizes in the orthorhombic system,space group Iba2 with a = 9.0417(14),b = 19.360(4),c = 7.5741(12),C4H4O4PbS,Mr = 355.32,V = 1325.8(4)3,Dc = 3.560 g·cm-3,F(000) = 1264,μ(MoKa) = 25.711 mm-1,S = 1.086 and Z = 8.The final refinement gave R = 0.0387 and wR = 0.0986 for 3077 observed reflections with I > 2σ(I).Complex 1 is a 2D infinite grid-like(4,4) topological structure constructed by PbII atoms and tda anions,in which tda ligands exhibit bis(syn,syn-bridging bidentate,chelating-bridging tetradentate) mode.Complex 2 crystallizes in the triclinic system,space group P1 with a = 8.3570(17),b = 8.7591(18),c = 10.895(2),α = 76.00(3),β = 80.50(3),γ = 77.61(3)°,C16H12N O4PbS,Mr = 535.53,V = 750.4(3)3,Dc = 2.370 g·cm-3,F(000) = 504,μ(MoKa) = 11.405 mm-1,S = 1.018 and Z = 2.The final refinement gave R = 0.0332 and wR = 0.0629 for 3360 observed reflections with I > 2σ(I).Complex 2 is a 1D chain structure,in which phen ligands are attached on both sides of the 1D chain and tda ligand exhibits a bis(syn,syn-bridging bidentate,chelating tridentate) mode.Finally,complex 2 is extended into a 2D supramolecular structure by strong π···π stacking interactions.     

Synthesis, Structure and Characterization of a New 1D Coordination Polymer:[Pb(L)(cis-1,4-chdc)]·0.5H2O

A new 1D coordination polymer, [Pb(L)(cis-1,4-chdc)]·0.5H2O (cis-1,4-chdc = 1,4-cyclohexanedicarboxylate and L = 2-(4-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline), has been synthesized under hydrothermal conditions and characterized by elemental analysis, TG and single-crystal X-ray diffraction. It crystallizes in triclinic, space group P1 with a = 9.153(5), b = 10.338(5), c = 13.074(5), α = 80.956(5), β = 89.725(5), γ = 80.534(5)°, V = 1204.8(10)3 , Z = 1, C54H44F2N8O9Pb2 , Mr = 1401.35, Dc = 1.931 g/cm3 , F(000) = 678, μ(MoKa) = 7.055 mm-1 , R = 0.0277 and wR = 0.0559. Each cis-1,4-chdc anion coordinates with two Pb(Ⅱ) atoms in a bis-chelating coordination mode. In this way, cis-1,4-chdc anions bridged the neighboring Pb(Ⅱ) atoms to generate a 1D chain structure. The L ligands from neighboring chains are paired through the strong π-π interactions to generate a fascinating 2D supramolecular layer.     

A Mn(Ⅱ) Coordination Polymer with the Flexible Tripodal Ligand 1,3,5-Tris-(imidazol-1-ylmethyl)benzene

A new Mn(Ⅱ) coordination polymer {[Mn(timb)2(H2O)2]·(Cl)2·(H2O)2}n(1,timb = 1,3,5-tris-(imidazol-1-ylmethyl)benzene) has been synthesized and characterized by elemental analysis,IR,TG and single-crystal X-ray diffraction.The title compound crystallizes in the triclinic system,space group P1 with a=9.0774(13),b=9.8720(15),c=11.4898(16),α=93.378(3),β= 95.471(3),γ=101.101(3)°,V=1002.6(3)3,Mr=834.67,Dc=1.382 g/cm3,μ(MoKα)=0.517mm-1,F(000)=435,GOF=0.986,Z=1,the final R=0.0506 and wR=0.1139 for 3517 observed reflections I2σ(I).It consists of one-dimensional double stranded chains formed through bridging bidentate timb ligands,and these chains are further connected to yield a 3D supramolecular framework by hydrogen bonding interactions and π…π stacking interactions.     

Synthesis,Structural Characterization and Fluorescent Properties of a Cadmium Coordination Polymer with 4-Nitrophthalate and 1,4-Bis(imidazol-1-yl)-benzene

A new complex [Cd(nph)(bix)]_n(1, H_2nph = 4-nitrophthalic acid, bix = 1,4-bis(imidazol-1-yl)-benzene) has been successfully synthesized under hydrothermal conditions. Its structure has been characterized by elemental analysis, IR spectrum, TG, single-crystal and powder X-ray diffractions. The Cd~(2+) ion has a distorted octahedral environment with four O atoms from two nph ligands and two N atoms from two bix ligands. Each bix acts as a cis-conformation bridging ligand to link the neighboring [Cd_2(nph)] subunit to form tetranuclear subunits with 42-ring, which are bridged again by bix ligands to yield a two-dimensional network structure. It was stabilized by C–H···O hydrogen bonding and π-π interactions, and extended into a 3D supramolecular architecture. Moreover, the luminescent properties of complex 1 have been investigated in the solid state.     

Synthesis and Characterization of a Manganese(Ⅱ) Coordination Compound with Two-dimensional Layer Structure: {[Mn_2(IP)_2(1,4-bdc)_2]·H_2O}n

A new complex {[Mn2(IP)2(1,4-bdc)2]·H2O}n(1)(IP = 1H-imidazo[4,5-f][1,10]-phenanthroline, 1,4-H2 bdc = 1,4-benzendicarboxylic acid), have been hydrothermally synthesized and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group Cc with a = 20.326(2), b = 24.249(2), c = 7.621(1), β = 108.546(6), V = 3561.2(7)3, Z = 4, Dc = 1.672 g/cm3, μ = 0.785 mm-1, F(000) = 1824, S = 1.067, the final R = 0.0299 and wR = 0.0752. Compound 1 possesses a 2D structural motif, in which two crystallographically independent 1,4-bdc dianions adopt the alternative mode of mixed bis(bidentate) and monodentate-bidentate coordination modes to bridge neighboring Mn(II) centers. And the 2D layers are linked up by hydrogen bonding and π···π stacking interactions to form a 3D network. The title compound has good thermal stability and exhibits photoluminescent emission maximum at 518 nm.     

A One-dimensional Coordination Polymer of Copper(Ⅱ) and Bis(4,6-dimethyl-2-pyrimidinethiolato)methane

Reaction of bis(4,6-dimethyl-2-pyrimidinethiolato)methane(bpytm) with CuCl2·4H2O in a mixed methanol/dichloromethane solution gave a one-dimensional coordina-tion polymer [CuCl2(μ-bpytm)]n which was characterized by single-crystal X-ray diffraction.It crystallizes in monoclinic,space group P21/c with a=16.9433(5),b=13.6986(4),c=7.8434(2),β=100.371(2)°,V=1790.71(9)3,Z=4,Mr=426.86,Dc=1.583 g/cm3,μ(MoKα)=1.751mm-1,F(000)=868,S=1.025,the final R=0.0399 and wR=0.0924 for 2538 observed reflections with Ⅰ2σ(Ⅰ) and 206 variables.The neutral coordination polymer is constructed by the bidentate thioether ligands to link adjacent copper atoms.Each copper atom is bridged by two adjacent nitrogen atoms of bpytm ligands and terminally bonded by two chloride atoms to form a squareplanar coordination geometry.The average Cu-N and Cu-Cl bond lengths are 2.025(2) and 2.234(1),respectively.     

Synthesis, Crystal Structure, Thermal Behavior and Photoluminescent Property of Complex [Zn(L)(SO4)]·0.5H2O

Complex [Zn(L)(SO4)]·0.5H2O (L= 2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline) has been synthesized under hydrothermal conditions. The compound was characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21 /n with a = 9.9916(7), b = 12.3834(9), c = 29.259(2) , β = 97.7720(10)°, V = 3587.0(4)3 , Z = 2, C76H41Cl4F4N16O9S2Zn2 , Mr = 1734.91, Dc = 1.606 g/cm 3 , F(000) = 1754, μ(MoKa) = 0.959 mm -1 , R = 0.0492 and wR = 0.1385. The asymmetric unit of 1 contains one Zn(II) atom, two L ligands, one sulfate anion and half a water molecule. Each Zn(II) atom is five-coordinated by four nitrogen atoms from two different L ligands and one sulfate oxygen atom in a tetragonal pyramidal coordination environment. The N-H···O hydrogen bonds link the discrete structure of 1 into a 2D supramolecular architecture. The photoluminescent property of 1 has also been studied in the solid state at room temperature.     

Synthesis,Spectra,X-ray Diffraction and Thermal Studies of New Zn(Ⅱ) Compounds Based on Dibenzoylmethane

Two new zinc(Ⅱ) compounds with dibenzoylmethane and N-donor ancillary ligands,[Zn(μ-pyz)(dbm)_2]_n(1) and [Zn(dbm)_2(μ-bpe)Zn(dbm)_2](2)(Hdbm = dibenzoylmethane,pyz = pyrazine and bpe = 1,2-bis(4-pyridyl)ethane),have been prepared and characterized using elemental analysis,IR,~1H NMR and 13 C NMR spectroscopy,and studied by thermal gravimetric analysis as well as single-crystal X-ray diffraction. The crystal and molecular structures of 1 and 2 have been solved by X-ray diffraction and they turned out to be a one-dimensional coordination polymer with linear dispositions of metal atoms and binuclear compound,respectively. These one-dimensional polymers are further connected to form a 3D supramolecular network by C–H···O(only in 2) and π-π interactions.     

Synthesis and Structure of 1.5Zn（phen）3·L·3NO3 Supramolecule （phen = o-Phenanthroline,L = 4-Aminoacetophenone Thiosemicarbazone）

A supramolecular framework, 1.5Zn（phen）3·L·3NO3 （C63H48Zn1.5N16O9S）, has been synthesized. The ligand L was synthesized by the condensation of p-aminoacetophenone with thiosemicarbazide. The crystal belongs to the monoclinic system, space group C2/c, with a = 31.005（2）, b = 15.114（2）, c = 24.887（3） A, β = 94.260（2）° Z = 8, V = 11630（2）A^3 Dc = 1.489 g/cm^3, Mr = 1303.29,λ（MoKa） = 0.71069 A,μ= 0.735 mm^-1, F（000） = 5368, Rint = 0.0699, R= 0.0505 and wR= 0.0707. Two independent Zn atoms are both coordinated by six N atoms from three phen ligands. π-π and C-H…π interactions among the L ligands and Zn（phen）3 cations, π-π and C-H...π interactions among the Zn（phen）3 cations and N-H...O hydrogen bonds among the L ligands and nitrate anions connect the whole structure into a 3-D supramolecular framework.     

Synthesis,Crystal Structure and Photoluminescence of a New Zn(Ⅱ) Dimer Constructed by 1,10-Phenanthroline Derivative and Flexible Dicarboxylate

A new compound,[Zn(L)(1,4-chdc)]2·2H2O(1,1,4-chdc = 1,4-cyclohexanedicarboxylate and L = 11-fluoro-dipyrido[3,2-a:2,3-c]phenazine),has been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction.The crystal of 1 belongs to triclinic,space group P1 with a = 9.4679(19),b = 10.915(2),c = 12.577(3) ,α = 77.22(3),β = 74.73(3),γ = 65.47(3)°,C52H39F2N8O10Zn2,Mr = 1104.65,V = 1131.4(4) 3,Z = 1,Dc = 1.621 g/cm3,S = 1.091,μ(MoKα) = 1.143 mm–1,F(000) = 565,R = 0.0426 and wR = 0.1171.In 1,two 1,4-chdc anions bridge two Zn(Ⅱ) atoms to form a dimer.The neighboring dimers are further extended by π-π stacking interactions to form a 2D supramolecular layer.The luminescent property of the compound has also been investigated.     

Hydrothermal Synthesis and Crystal Structure of a One-dimensional Coordination Polymer Constructed from Bicapped Pseudo-Keggin Cluster:(Et_3N)_(0.5)(en)_2[SiMo_(12)O_(40)(VO)_2]·4H_2O

A new pseudo Keggin-type bicapped compound(Et3N)0.5(en)2[SiMo12O40(VO)2]·4H2O(Et3N=triethylamine,en=ethylenediamine) has been hydrothermally synthesized and characterized by IR,elemental analysis,TG and X-ray crystallography.The title compound crystallizes in monoclinic,space group P21/n with a=17.576(2),b=13.535(1),c=21.587(2),β=103.790(10)°,V=4987.3(8)3,Z=4,Dc=2.925 Mg/m3,Mr=2196.12,F(000)=4148,μ=3.400 mm-1,R=0.0379 and wR=0.1219.The most remarkable structural feature of the compound is that the clusters represent bicapped pseudo-Keggin structure and are linked one by one through V-O-V bonds forming an infinite 1D chain.Furthermore,such chains are interconnected in a cross-like arrangement through multiform hydrogen bonds to yield a 3D supramolecular network.     

A New Cd(Ⅱ) Coordination Polymer Constructed by 3-(2-Pyridyl)pyrazole and 5-Nitroisophthalic Acid:Synthesis,Crystal Structure and Theoretical Calculations

A new coordination polymer, [Cd_2(NIPH)(L)_2(H_2O)]n(1, HL = 3-(2-pyridyl)pyrazole and H_2NIPH = 5-nitroisophthalic acid), has been synthesized. The structure of complex 1 has been characterized by X-ray single-crystal diffraction, elemental analysis, IR spectrum analysis, thermogravimetric analysis and fluorescence spectrum analysis. Complex 1 belongs to the triclinic system, space group P1 with a = 8.9539(6), b = 11.6252(8), c = 12.2472(8) ?, α = 80.011(2), β = 80.3850(10), γ = 86.773(2)°, V = 1237.37(14) ?~3, Z = 2, D_c = 1.987 g/cm~3, μ = 1.780 mm~(-1), M_r = 740.25, F(000) = 724, the final R = 0.0295 and wR = 0.1015 with I 2σ(I). Two H_2NIPH as monodentate and bidentate ligands and two L ligands link four Cd(Ⅱ) ions to form a tetranuclear subunit. Each pair of the tetranuclear subunits is bridged by NIPH ligands to yield a one-dimensional double-chain structure. Furthermore, the 1D chains are linked into a 3D supramolecular framework with hydrogen bonds and π-π interactions. In addition, we analyzed Natural Bond Orbital(NBO) in using the PBE0/LANL2DZ method built in Gaussian 03 Program. The calculation results indicated the obvious covalent interaction between the coordinated atoms and Cd(Ⅱ) ion.