Synthesis,Crystal Structure,Fluorescent Property and DFT Calculations of a New Zn(Ⅱ) Complex Based on 3-(2-Pyridyl)-5-(4-pyridyl)-1H-1,2,4-triazole

A new coordination compound Zn(2,4?-bpt)2(H_2O)(1) based on the versatile ligand 2,4?-Hbpt(2,4?-Hbpt = 3-(2-pyridyl)-5-(4-pyridyl)-1H-1,2,4-triazole) was prepared by hydrothermal reactions. The structure of complex 1 has been characterized by X-ray single-crystal diffraction, elemental analysis, X-ray powder diffraction, IR spectrum analysis and thermogravimetric analysis. Single-crystal X-ray diffraction analysis indicates that the complex belongs to monoclinic system, space group C2/c with a = 23.877(3), b = 0.7483(9), c = 1.2492(2) ?, b = 92.681(2)°, V = 2230.6(4) ?3, Z = 4, Dc = 1.572 g/cm~3, m = 1.143 mm~(-1), Mr = 527.85 and F(000) = 1080. The final R = 0.0581 and w R = 0.0898 with I 2s(I). 1 is a 0D motif which is connected by hydrogen bonds to form a corrugated 1D pattern. In addition, 1 shows strong photoluminescent emissions in the solid state at room temperature which can be used as potential optical materials. Theoretical calculations based on density functional theory(DFT) were employed in order to explicate the stability and chemical reactivity of 2,4?-Hbpt with different conformations. The results indicated that conformation I is more stable and prior to coordination in the reactions.     

Synthesis,Crystal Structure and Luminescent Property of a New Indium(Ⅲ) Coordination Polymer

A new coordination complex [In(pda)1.5(bpy)]_n(1, H_2pda = 1,4-phenylenediacetic acid, bpy = 2,2?-bipyridine) has been synthesized under hydrothermal conditions and characterized by IR spectrum, elemental analysis, PXRD and single-crystal X-ray diffraction analysis. Crystal data for the title complex are as follows: monoclinic system, space group P21/n with a = 11.8015(7), b = 15.9551(10), c = 11.8858(8) ?, β = 94.844(6)o, V = 2230.0(2) ?~3, Mr = 559.25, Z = 4, F(000) = 1124, Dc = 1.666 g/cm3, μ(Mo Kα) = 1.106 mm-1, R = 0.0269 and wR = 0.0569 for 4534 observed reflections with I 2σ(I). Complex 1 displays a 3D supermolecular structure based on the 1D zizag chains. Fluorescence spectrum measurement indicates that complex 1 shows strong fluorescence emission with a maximum peak at 447 nm in the solid state at room temperature.     

Synthesis,Crystal Structure,and Topology Analysis of One Novel Interpenetrated 2D Cobalt Coordination Polymer, {[Co(HTCB)(4,4'-btb)]·H_2O}_n

One novel cobalt coordination polymer, {[Co(HTCB)(4,4'-btb)]·H2O}n(1, H3TCB= 1,3,5-tris(4-carboxyphenyl)benzene, 4,4'-btb = 4,4'-bis(1,2,4-triazol-3-yl)biphenyl), has been synthesized and characterized by elemental analysis, IR, powder X-ray diffraction(PXRD), and thermogravimetric(TG) analyses. X-ray diffraction analysis reveals that complex 1 is a 2D 2-fold interpenetrated {44,62}-sql [Co(HTCB)(4,4'-btb)] sheet based on the 1D [Co(HTCB)]n chains and1 D [Co(4,4'-btb)]n chains. The crystal of 1 crystallizes in triclinic, space group P 1 with a =9.529(12), b = 13.914(16), c = 14.906(17), V = 1903(4) 3, Z = 2, C45H34N6CoO7, Mr = 829.71,Dc = 1.448 g/cm3, F(000) = 858 and μ(MoKα) = 0.514 mm-1. The final R = 0.0655 and wR = 0.1136 for 6603 observed reflections with I 2σ(I) and R = 0.1136 and wR = 0.1747 for all data.     

A New 3-Fold Interpenetrating 3D Zn(Ⅱ) Metal-organic Framework: Synthesis,Structure and Luminescent Property

A new Zn(Ⅱ) coordination polymer,namely {[Zn_(1.5)(1,3,5-btc~(3-))(dtb)(H_2O)](H_2O)_2}_n(1)(1,3,5-H_3btc = 1,3,5-benzenetricarboxylic acid,dtb = 1,3-di-(1,2,4-triazole-4-yl)benzene),has been hydrothermally synthesized and structurally characterized. X-ray single-crystal diffraction determination reveals that 1 crystallizes in the monoclinic C2/c space group with a = 33.811(12),b = 8.406(2),c = 17.296(4) ?,β = 120.593(2)°,V = 4232(2) ?~3,Z = 4,Mr = 1142.88,Dc = 1.794 Mg/m~3,μ = 1.783 mm~(-1),F(000) = 2320,the final R = 0.0338 and wR = 0.0827 for 3043 observed reflections with I 2σ(I). Compound 1 exhibits 1D Zn(Ⅱ)-carboxylate chains,which are connected into a 3D porous framework with large channels by dtb,and then three identical 3D networks are interpenetrated with each other. In addition,the luminescence property of the complex has also been investigated.     

Synthesis,Structure and Magnetic Property of a New Three-dimensional Copper(Ⅱ) Coordination Polymer Constructed from 5-Tert-butyl Isophthalic Acid and N-donor Ligand

A new 3D copper(Ⅱ) coordination polymer, {[Cu_2(tbip)_2(1,3,5-tib)]×2H_2O}n(1, H_2 tbip = 5-tert-butyl isophthalic acid, 1,3,5-tib = 1,3,5-tris(1-imidazolyl)benzene), has been synthesized by hydrothermal reaction of Cu(OAc)_2·4H_2O, H_2 tbip and 1,3,5-tib. It has been structurally characterized by element analysis, IR and magnetic measurement. X-ray single-crystal analysis was carried out for 1, which crystallizes in the triclinic system, space group P1 with a = 7.822(3), b = 15.854(6), c = 17.553(6) ?, a = 113.033(4), β = 90.694(4), g = 101.006(4)°, V = 1957.3(12) ?~3, Z = 1, D_c = 1.493 g/cm~3, M_r = 1759.70, F(000) = 908, R = 0.0721 and w R = 0.1978 with I 2s(I). The single-crystal X-ray diffraction studies reveal that compound 1 exhibits 2D [Cu(tbip)] layers which are further pillared by 1,3,5-tib ancillary ligand with terminal tridentate coordination mode to generate the final 3D structure. Magnetic susceptibility data for 1 have been measured in the range of 2~300 K. There are antiferromagnetic interactions between copper ions of the compound.     

Synthesis,Crystal Structure and Luminescent Property of a Zn(Ⅱ) Complex Based on 4-Imidazole-carboxylate Ligand

A new complex, [Zn(L)_2](1), has been hydrothermally prepared by the reaction of ZnSO_4·7H_2O with 2-(1H-imidazol-4-yl)benzoic acid(HL) incorporating 4-imidazolyl and carboxylate functional groups, and characterized by single-crystal X-ray diffraction, elemental analysis, IR spectroscopy and powder X-ray diffraction(PXRD). Complex 1 crystallizes in monoclinic, space group C2/c with a = 9.8349(9), b = 7.4947(7), c = 24.104(2) ?, β = 92.889(2)o, V = 1774.4(3) ?~3, Z = 4, C_(20)H_(14)N_4O_4 Zn, M_r = 439.72, D_c = 1.646 g/cm~3, μ = 1.422 mm~(-1), S = 1.003, F(000) = 896, the final R = 0.0395 and wR = 0.0874 for 11386 observed reflections(I 2σ(I)). Single-crystal X-ray structural analysis reveals that complex 1 features a two-dimensional(2D) framework with 6~3-hcb topology. Moreover, the photoluminescent property of 1 was also discussed.     

Synthesis,Crystal Structure and Fluorescent Properties of a Cadmium(Ⅱ) Complex with 3-(Pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole

Compound [Cd_(1.5)(ppt)Br_2(H_2O)]_(2n)(1),where Hppt = 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole,has been synthesized under hydrothermal conditions and characterized by elemental analysis,IR spectra,powder XRD,and X-ray diffraction.Compound 1 crystallizes in the triclinic system,space group P1 with a = 7.4402(6),b = 8.0570(7),c = 12.8674(11) ?,α = 89.7300(10),β = 89.8570(10),γ = 68.3910(10)°,V = 717.13(10) ?3,Z = 1,Dc = 2.638 g/cm3,μ = 7.824 mm~(-1),F(000) = 534,the final R = 0.0324 and w R = 0.1084 for 2324 observed reflections with I 2σ(I).X-ray diffraction analyses revealed that complex 1 is a 2D layered coordination polymer constructed from the linkage of [Cd_3(μ-Br)_4] trinuclear units with ppt-spacers,and a 3D supramolecular architecture is further assembled in 1 via hydrogen-bonding contacts.Fluorescence measurements show that 1 has medium fluorescent emission at 450 nm.     

A Carboxylate-bridged Co(Ⅱ) Layer Complex: Synthesis,Structure and Magnetic Property

A 2D coordination polymer, [Co(NPA)(H_2 O)_2]_n(1, H_2 NPA = 3-nitrophthalic acid), has been synthesized by solvothermal method and characterized by single-crystal X-ray diffraction analysis, FT-IR spectroscopy, elemental analysis, thermogravimetric analysis and powder X-ray diffraction. Complex 1 crystallizes in orthorhombic space group Pbca with a = 7.2261(2), b = 14.6450(5), c = 19.6671(7) ?, V = 2081.31(11) ?~3, Z = 8, C_8 H_7 CoNO_8, M_r = 304.08, D_c = 1.941 mg/m~3, μ = 1.686 mm~(-1), S = 1.054, F(000) = 1224, the final R = 0.0248 and wR = 0.0603 for 1834 observed reflections(I 2σ(I)). The crystal structural analysis demonstrates that the Co(Ⅱ) ions in 1 are linked by single and double μ_2-1,3-bridging carboxylate bridges, forming a 2D layer structure. Moreover, magnetic property of 1 was also discussed.     

Syntheses,Structures, and Properties of Three Coordination Polymers: [Cd_2(bpp)_(1.5)(Hbpp)(phen)_2]_n, [Mn_3(Htptc)_2(phen)_2(H_2O)_2]_n,and {[Cu(btc)_(0.5)(1,4-bib)]·2H_2O}_n

Hydrothermal reactions of three aromatic polycarboxylic acids and the transitional metal cations in the presence of phen and 1,4-bib afford three new coordination polymers: [Cd2(bpp)1.5(Hbpp)(phen)2]n(1), [Mn3(Htptc)2(phen)2(H2O)2]n(2), and {[Cu(btc)0.5(1,4- bib)]·2H2O}n(3)(H2bpp = 2,6-bis(4'-carboxyphenyl)-4-phenylpyridine, H4tptc = terphenyl-2,5,2',5'-tetracarboxylic acid, H4btc = biphenyl-2,2',4,4'-tetracarboxylic acid, phen = 1,10-phenanthroline, and 1,4-bib = 1,4-bis(1H-imidazol-1-yl)benzene). Their structures have been determined by singlecrystal X-ray diffraction analyses, elemental analyses, IR spectra, and powder X-ray diffraction(PXRD) analyses. In compound 1, the CdII cations are linked by bpp2- to form one ladder structure, based on which a 3D network is constructed with the help of non-covalent interactions. The topology of 2 is a 3D(3,4,5)-connected framework with the Point Schl?fli symbol of(42.6)32(4.62.8)(45.64.8)2. Compound 3 shows an unprecedented 3D(4,4)-connected framework with the Point Schl?fli symbol of(64.82)2(65.8). Moreover, the luminescent property of 1 has been investigated.     

A Novel Zn(Ⅱ) Complex with 4-Connected umc Topology:Synthesis,Crystal Structure and Luminescent Property

A novel complex, [Zn(L)]2·H2O(1, H2 L = 4-aminophthalic acid), has been hydrothermally prepared and characterized by single-crystal X-ray diffraction, IR spectroscopy, elemental analysis and PXRD. Complex 1 crystallizes in monoclinic, space group C2/c with a = 12.4267(6), b = 7.7482(3), c = 18.6983(8) ?, β = 110.437(3)o, V = 1687.04(13) ?3, Z = 4, C16H12N2O9Zn2, Mr = 507.06, Dc = 1.996 g/cm3, μ = 2.903 mm-1, S = 0.989, F(000) = 1016, the final R = 0.0304 and w R = 0.0720 for 12618 observed reflections(I 2σ(I)). Single-crystal X-ray structural analysis reveals that compound 1 features a three-dimensional(3D) framework with 4-connected umc topology. Moreover, the thermogravimetric(TG) analysis and photoluminescent property of 1 were also discussed.     

Hydrothermal Synthesis and Crystal Structure of a Novel Polyoxometalate K(C_4N_2H_(12))_4(C_4N_2H_(11))_(2-)[Mo_8~ⅤMo_4~ⅥCdP_8O_(54)(OH)_8]F·6H_2O

The title compound 1 has been synthesized by the reaction of H_2MoO_4, CdCl_2, H_3PO_4, KF, piperazine hexahydrate and water in aqueous solution under mild hydrothermal conditions. Single-crystal X-ray analysis reveals that the title compound crystallizes in the triclinic system, space group P(-1) with a = 14.049(3), b = 15.972(3), c = 20.043(4) (A), α = 85.82(3), β = 81.28(3),γ = 67.15(3)°, V= 4095.9(14) (A)~3, M_r = 3204.62, Z=2,D_c = 2.598 g/cm~3,μ = 2.360 mm~(-1), F(000) = 3124, the final R = 0.0314, wR = 0.0826 and S = 0.989 for 18592 observed reflections with I > 2σ(I). The crystal packing is stabilized by N-H…O and O-H…O intra- and intermolecular hydrogen bonds to form an infinite 3D network.     

Syntheses,Structures, and Photoluminescent Properties of Two 2D Coordination Polymers Based on 1,3-Di(2,4-dicarboxyphenyl) Benzene and 1,3-Di(4-pyridyl)propane

Two new 2D coordination polymers, [Zn(HL)(Hbpp)]n(1) and [Cd(HL)(Hbpp)(H2O)]n(2)(H4L = 1,3-di(2,4-dicarboxyphenyl) benzene, bpp = 1,3-di(4-pyridyl)propane), have been hydrothermally synthesized and characterized by single-crystal X-ray diffraction analysis, elemental analysis, TGA and IR spectroscopy. Complex 1 crystallizes in monoclinic, space group P21/n, with a = 13.1031(6), b = 14.7315(7), c = 15.0041(7) A, β = 91.202(1)°, V = 2895.6(2) A3, Dc = 1.532g/cm3, Mr = 667.97, F(000) = 1376.0, μ = 0.909 mm–1, Z = 4, the final R = 0.0481 and wR = 0.1304 for 7027 observed reflections with I 2σ(I). Complex 2 also belongs to the monoclinic space group P21/n, with a = 13.6326(4), b = 14.6432(4), c = 14.9395(5) A, β = 93.132(1)o, V = 2977.84(16) A3,Dc = 1.613 g/cm3, Mr = 1445.98, F(000) = 733.0, μ = 0.794 mm–1, Z = 2, the final R = 0.0283 and w R = 0.0784 for 7230 observed reflections with I 2σ(I). Both complexes 1 and 2 form 2D net structures, which are further linked to form 3D supramolecular net structures via intermolecular hydrogen bonds and aromatic π-π stacking interactions.     

A New Mn(Ⅱ) Coordination Polymer with a Rare Polyrataxane Topology: Synthesis,Crystal Structure and Luminescent Property

A novel coordination polymer [Mn(bcp)(bib)0.5]n(1, H2 bcp = 1,3-bis(4-carboxyphenoxy)propane and bib = 1,4-bis(imidazol-1-yl)benzene) was synthesized under hydrothermal conditions, and was characterized by single-crystal X-ray diffraction analyses and further characterized by elemental analyses, IR spectroscopy and powder X-ray diffraction(PXRD).Complex [Mn(bcp)(bib)0.5]n(1) is of triclinic system, space group P1 with a = 7.320(5), b =11.871(5), c = 13.932(5) ?, α = 111.125(5)°, β = 99.658(5)°, γ = 101.104(5)°, Z = 2, V= 1070.3(9)?3 Mr = 474.34, Dc = 1.472 g/cm3, F(000) = 488, μ = 0.660 mm?1, the final R = 0.0353 and wR =0.0.984 for 4373 observed reflections with I 2?(I). Structure analysis reveals that complex 1 displays a rare 2 D + 2 D → 2 D polyrataxane topology. Moreover, the luminescent property for 1 was investigated at room temperature.     

Synthesis,Structure and Highly Enhanced Phosphorescence of a Cadmium (Ⅱ) Coordination Polymer Assembled with 1,4-Naphthalenedicarboxylic Acid and 2-Propylimidazole

One cadmium(Ⅱ)coordination polymer[Cd(1,4-NDC)(PPIM)₂]_n(1,1,4-H₂NDC=1,4-na-phthalenedicarboxylic acid,PPIM=2-propylimidazole),has been synthesized under hydrothermal conditions and structurally characterized by elemental analysis,TGA and X-ray single-crystal diffraction.Complex 1 crystallizes in monoclinic with space group P2₁/n,a=8.8292(2),b=16.6936(4),c=16.7869(4)?,β=99.701(2)°,V=2438.86(10)?³,Z=4,Dc=1.489 Mg/m³,F(000)=1112,μ=0.932 mm^–1,S=1.076,the final R=0.0360 and wR=0.0850.In 1,the 1,4-NDC ligand bridges the Cd(Ⅱ)to form a 1D infinite chain,which are connected through N–H···O hydrogen bond to form a 2D layer then to an overall 3D supramolecular structure.The time-resolved measurements indicate that 1 shows highly prolonged phosphorescent lifetime about 452 times in comparison with that of pristine PPIM ligand.Single-crystal analysis and theory calculations indicate that strong coordination bonds and complete separation of HOMOs and LUMOs in the rigid matrix of 1 promote the long-last phosphorescence emission.     

A New Co(Ⅱ) Coordination Compound Constructed by Tripyridyltriazole and Pyromellitic Acid:Synthesis,Crystal Structure and Antifungal Activity

A new coordination compound, [Co(L~(223))_2(H_2O)_2]·H_2pm(1, L~(223) = 3,4-bis(2-pyridyl)-5-(3-pyridyl)-1,2,4-triazole and H4 pm = pyromellitic acid), has been synthesized. The structure of complex 1 has been characterized by X-ray single-crystal diffraction, elemental analysis, IR spectrum analysis and thermogravimetric analysis. Single-crystal X-ray diffraction analysis reveals that complex 1 belongs to the triclinic system, space group P1 with a = 10.2470(8), b = 10.2879(9), c = 10.2951(11) ?, α = 109.398(2), β = 97.6590(10), γ = 95.3260(10)°, V = 1003.60(16) ?3, Z = 1, Dc = 1.565 g/cm~3, μ = 0.508 mm~(-1), Mr = 945.73, F(000) = 485, the final R = 0.0562 and w R = 0.0783 with I 2σ(I). Two L223 as chelating ligands link one Co(II) ion to form a 0D motif. Furthermore, the 0D motifs are linked into a 2D coordination pattern with hydrogen bonds. In addition, the antifungal effects of the ligand and the complex were evaluated by the disc diffusion method against Colletotrichum gloeosporioides Penz. 1 represents antifungal activity with high levels of inhibitory potency which is larger than the corresponding ligand.     

A 3-fold Interpenetrated lvt Cd(Ⅱ) Network Constructed from 4-[(3-pyridyl)methylamino]benzoate Acid

A new three-dimensional(3D) coordination polymer, [Cd(L)2H2O]n·5nH2O 1 with 4-[(3-pyridyl)methylamino]benzoate acid(HL), has been synthesized by slow evaporation solvent at room temperature, and structurally characterized by elemental analysis, IR spectrum, thermal analysis, fluorescence spectrum and single-crystal X-ray diffraction. Compound 1 crystallizes in the tetragonal system, space group I-4, with a = 20.7937(16), c = 13.515(2), V = 5843.5(11) 3, C26H34CdN4O10, Mr = 674.97, Dc = 1.534 g/cm3, μ(MoKα) = 0.808 mm-1, F(000) = 2768, Z = 8, the final R = 0.0276 and wR = 0.0691 for 5323 observed reflections(I 2σ(I)). The result of thermal analysis shows that 1 is stable under 290 ℃. Moreover, it exhibits blue photoluminescence at room temperature.     

Synthesis,Crystal Structure and Fluorescence Properties of a Terbium(Ⅲ) Complex with Biphenyl-2,3,3',5'-tetracarboxylic Acid

A new terbium complex based on biphenyl-2,3,3',5'-tetracarboxylic acid(H_4bptc) has been synthesized, {[Tb(Hbptc)(H_2O)_4]×H_2O}n(1). Its structure was determined by single-crystal X-ray diffraction analysis and further characterized by elemental analysis, IR spectra and TG analyses. Title complex crystallizes in monoclinic, space group P21/n with a = 14.090(2), b = 8.0824(13), c = 15.5591(17) ?, V = 1775.4(5) ?~3, Mr = 576.22, D_c = 2.156 g/cm3, μ(Mo Kα) = 4.059 mm~(-1), F(000) = 1128, Z = 4, the final R = 0.027 and w R = 0.0726 for 3296 observed reflections(I 2σ(I)). Complex 1 exhibits a 2 D layer structure, and such layers are further united together into a three-dimensional supramolecular structure through π···π interaction and intricate hydrogen bonding. The fluorescence excitation and emission spectroscopy of 1 showed that H4 bptc is a kind of highly efficient sensitizer for terbium(Ⅲ) ion. The title complex also displays efficient ligand sensitized luminescence in the visible region with long lifetime of 2.02 ms in the solid state.     

Crystal Structure and Inhibitory Activity against Xanthine Oxidase of Bis(μ_2-chloro)-chloro-(μ-N,N'-(2-pyridylmethylene) Furanmethanoamine Copper(II) Complex

A chloro-bridged dinuclear copper(II) complex with ligand 2-pyridylme-thylene-furfurylamine has been synthesized and characterized by single-crystal X-ray diffraction, and its inhibitory activity on xanthine oxidase (XO) was also evaluated. It crystallizes in the triclinic system, space group P1 with a=8.0441(16), b=8.5663(17), c=10.060(2), α=77.52(3), β= 72.04(3), γ=70.12(3)°, V=615.3(2)3, Z=1, Dc=1.731 g/cm3, F(000)=322, the final R= 0.0401 and wR=0.0934 for 1971 observed reflections with I > 2σ(I). X-ray analysis reveals that the Cu(II) cation is five-coordinated by two N atoms of Schiff base and three Cl anions. The C-H…Cl intermolecular and intramolecular hydrogen bonds connect the molecules to form a three-dimensional network. This copper(II) complex shows more potent inhibitory activity against XO with IC50=3.48 μM than the standard inhibitor allopurinol.     

Hydrothermal Synthesis,Crystal Structure and Surface Photo-electric Properties of a New Nickel(Ⅱ) 3-D Metalorganic Framework Constructed from the Rigid 1,4-Bis(imidazol-1-yl) benzene Ligand

A new 3-D nickel(Ⅱ) metal-organic framework(MOFs) with formula [Ni(bib)_2(SO_4)]_n(1), where bib = 1,4-bis(imidazol-1-yl)benzene, has been synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, elemental analysis and surface photovoltage spectroscopy(SPS). Complex 1 crystallizes in monoclinic system, space group C2/c with a = 19.5988(6), b = 9.7531(3), c = 11.8146(4) ?, β = 96.185(3)°, V = 2245.20(12) ?~3, C_(24)H_(20)N_8NiO_4S, M_r = 575.25, D_c = 1.702 g/cm~3, Z = 4, F(000) = 1184, μ = 1.011 mm-1, the final R = 0.0293 and w R = 0.0702. X-ray diffraction analyses indicated that the center Ni~(2+) ion is six-coordinated with an O_2N_4 donor set of two μ_2-SO_4~(2–) and four bib ligands, resulting in an ideal octahedral geometry. Topological analysis on complex 1 considers each Ni~(2+) as a 6-connected node, while bib and sulfate ion as linkers, giving an α-Po topology with short Schl?fli symbol 412·63. In the crystal packing, the components interact with pairs of intermolecular C–H×××O hydrogen bonds. The SPS of 1 indicates that there are positive response bands in the range of 300~600 nm showing photo-electric conversion properties.     

Syntheses,Crystal Structures,and Photoluminescent Properties for One New Cd(Ⅱ) CP Based on 3,5-Bis(4?-carboxy-phenyl)-1,2,4-triazole and 1,4-Bis(imidazol-1-ylmethyl)benzene

One new coordination polymer(CP) [Cd(bct)(bib)]·2(H_2O)(1), based on 3,5-bis(4?-carboxy-phenyl)-1,2,4-triazole(H2 bct) and 1,4-bis(imidazol-1-ylmethyl)benzene(bib), has been synthesized by hydrothermal method, and its structure was determined and characterized by single-crystal X-ray diffraction analysis, elemental analysis, IR spectroscopy, and thermogravimetric analysis. The crystal structure of CP 1 is a three-dimensional framework with(3,5)-connected topology, where the bct ligands adopt a μ3-kO,kO,kO coordination mode connecting with three Cd centers and the bib ligands adopt a μ2-k N,k N coordination mode bridging two Cd ions. It crystallizes in monoclinic system, space group C2/c, with a = 2.6838(4), b = 1.24221(17), c = 1.8011(2) nm, β = 102.939(2)o, V = 5.8522(13) nm3, Z = 8, C30 H27 CdN7O6, Mr = 694.00, Dc = 1.566 g/cm~3, F(000) = 2784, S = 1.055, R = 0.0294 and wR = 0.0731. Furthermore, solid-state photoluminescence measurements show that CP 1 produces strong emissions at room temperature.