Synthesis,Crystal Structure and Theoretical Calculations of a Nickel(Ⅱ) Coordination Polymer Assembled by 4,4'-Oxydibenzoic Acid and 1,3-Bis(imidazol-1-ylmethyl)-benzene Ligands

A new metal-organic coordination polymer [Ni(oba)(mbix)(H2O)]n·n H2O(H2oba = 4,4‘-oxydibenzoic acid,mbix = 1,3-bis(imidazol-1-ylmethyl)-benzene) 1 has been hydrothermally synthesized and structurally characterized by elemental analysis,IR,TG,UV and single-crystal X-ray diffraction.Green crystals crystallize in the triclinic system,space group P1 with a = 10.1915(18),b = 11.415(2),c = 12.314(2)?,α = 74.263(3),β = 84.545(2),γ = 74.369(3)o,V = 1327.6(4) ?,C28H26N4 Ni O7,Mr = 589.24,Dc = 1.474 g/cm3,F(000) = 612,Z = 2,μ(Mo Kα) = 0.786 mm-1,the final R = 0.0332 and w R = 0.0869 for 4622 observed reflections(I 2σ(I)).The structure of 1 exhibits a one-dimensional chain-like structure.In addition,natural bond orbital(NBO) analysis was performed by the PBE0/LANL2 DZ method in Gaussian 03 Program.The calculation results show obvious covalent interaction between the coordinated atoms and Ni(Ⅱ) ion.     

Hydrothermal Synthesis and Crystal Structure of a Cobalt(Ⅱ) Polymer with One-dimensional Chain Structure: [ Co(phen) (BDC)(H2O)]n·0.5nH2BDC

A metal-organic coordination polymer [Co(phen)(BDC)(H2O)]n·0.5nH2BDC(H2BDC = terephthalic acid, phen = 1,10-phenanthroline) has been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum, TG and single-crystal X-ray diffraction. The complex crystallizes in triclinic, space group P1- with a = 9.771(3), b =10.739(3), c= 11.249(4) (A), α = 75.946(3), β = 65.306(3), γ = 86.073(4)°, V = 1039.6(6)(A)3, C24H17CoN2O7, Mr=504.33, Dc = 1.611 g/cm3, μ(MoKa) = 0.878 mm-1, F(000) = 516, Z = 2, the final R = 0.0547 and wR = 0.1138 for 2916 observed reflections (I＞ 2σ(Ⅰ)). It exhibits a one-dimensional zigzag chain-like structure.     

Hydrothermal Synthesis and Crystal Structure of a Cadmium(Ⅱ) Polymer with One-dimensional Chain Structure: [Cd(MDPPz)(BDC)(H2O)]n

A metal-organic coordination compound formulated as [Cd(MDPPz)(BDC)(H2O)]n 1 (MDPPz = 11-methyldipyrido[3,2-a:2',3'-c]phenazine, BDC = 1,4-benzenedicarboxylate) has been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum, fluorescence spectrum and single-crystal X-ray diffraction. The title compound crystallizes in the monoclinic system, space group C2/c, with a = 30.673(8), b = 9.623(3), c = 20.784(6) (A), β = 98.646(3)o, V = 6065(3) (A)3, C27H17CdN4O5, Mr = 589.85, Dc = 1.292 g/cm3, μ(MoKα) = 0.757 mm(1, F(000) = 2360, Z = 8, the final R = 0.0381 and wR = 0.0855 for 4191 observed reflections (I＞2σ(I)). 1 exhibits blue fluorescence property at room temperature.     

Hydrothermal Synthesis and Crystal Structure of a Cobalt(Ⅱ) Polymer with One-dimensional Chain Structure: [Co(phen)(BDC)(H_2O)]_n·0.5nH_2BDC

A metal-organic coordination polymer [Co(phen)(BDC)(H2O)]n·0.5nH2BDC (H2BDC = terephthalic acid, phen = 1,10-phenanthroline) has been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum, TG and single-crystal X-ray diffraction. The complex crystallizes in triclinic, space group P1 with a = 9.771(3), b =10.739(3), c = 11.249(4) , α = 75.946(3), β = 65.306(3), γ = 86.073(4)o, V = 1039.6(6) 3, C24H17CoN2O7, Mr = 504.33, Dc = 1.611 g/cm3, μ(MoKα) = 0.878 mm-1, F(000) = 516, Z = 2, the final R = 0.0547 and wR = 0.1138 for 2916 observed reflections (I > 2σ(I)). It exhibits a one-dimensional zigzag chain-like structure.     

Hydrothermal Synthesis and Crystal Structure of a Zinc(Ⅱ) Polymer with a Two-dimensional Layer Structure: [Zn(pzdc)(phen)] n·nH_2O

A metal-organic coordination compound formulated as [Zn(pzdc)(phen)] n·nH_2O 1 (H_2pzdc=pyrazine-2,3-dicarboxylic acid,phen=1,10-phenanthroline) has been hydrothermally synthesized and structurally characterized by elemental analysis,IR,fluorescence spectrum and single-crystal X-ray diffraction. The title compound crystallizes in the monoclinic system,space group P2_(1/n) with α=11.607(2),b=11.719(2),c=13.140(3)(A),β=110.707(3)°,V=1671.9(6)(A)~3,C_(18)H_(12)ZnN_4O_5,Mr=429.69,D_c=1.707 g/cm~3,μ(MoKα)=1.511 mm~(-1),F(000)=872,Z=4,the final R=0.0356 and wR=0.0853 for 2713 observed reflections (Ⅰ> 2σ(Ⅰ). It exhibits an interesting two-dimensional layer structure and shows yellow photoluminescent property 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.     

Hydrothermal Synthesis and Crystal Structure of a Cadmium(Ⅱ) Polymer with One-dimensional Chain Structure: [Cd(bpy)(BDC)]n·nbpy

A metal-organic coordination polymer [Cd(bpy)(BDC)]n·nbpy (bpy = 2,2'-bipyri- dine, H2BDC = terephthalic acid) has been hydrothermally synthesized and structurally characteri- zed by elemental analysis, IR spectrum, TG and single-crystal X-ray diffraction. The complex crystallizes in monoclinic, space group C2/c with a = 15.723(5), b = 21.695(5), c = 7.576(5)(A), β = 116.171(7)o, V = 2319.3(18)(A)3, C28H20CdN4O4, Mr = 588.88, Dc = 1.686 g/cm3, μ(MoKα) = 0.987 mm(1, F(000) = 1184, Z = 4, the final R = 0.0464 and wR = 0.0831 for 1882 observed reflections (Ⅰ ＞ 2σI)). It exhibits a three-dimensional network with channels constructed from one-dimensional coordination chains via C-H…O hydrogen bonds and significant aromatic π-π stacking interactions.     

Synthesis and Crystal Structure of a Cu(Ⅱ) Coordination Polymer: [Cu(L)(1,10-phen)]_n

A new complex [Cu(L)(1,10-phen)]n(1, L = N-3-pyridine sulfonyl amino acid) has been synthesized and characterized by IR, elemental analysis and X-ray diffraction analysis, and its crystal belongs to monoclinic, space group P21/c with a = 11.481(2), b = 18.094(4), c = 8.5198(17) , β = 102.26(3)°,V = 1729.5(6) 3, Z = 4, Dc = 1.759 g/cm3, F(000) = 932, μ = 1.422 mm-1, R = 0.0368 and wR = 0.0893. In 1, the Cu(Ⅱ) ion adopts a slightly distorted five-coordinated square pyramidal geometry. The L2- ligand adopts O of the carboxyl bridging adjacent Cu(Ⅱ) units to form an infinite chain structure along the c axis. Also, π-π stacking interactions between the adjacent chains expanded the 1-D structures into a 3-D supramolecular structure.     

Synthesis and Crystal Structure of a Coordination Polymer {[Co(phth)(phen)(H2O)]·(C2H5OH)}n

The coordination polymer {[Co(phth)(phen)(H2O)]·(C2H5OH)}n (phth = phthalate, phen = 1,10-phenanthroline) with formula C22H20CoN2O6 (Mr = 467.33) was synthesized by the solvothermal method under low temperature, and its crystal structure was determined by singlecrystal X-ray diffraction. The complex belongs to monoclinic system, space group P21/n with a =12.7352(16), b = 8.8125(11), c = 18.677(2) (A), β = 102.633(2)°, V = 2045.3(4) (A)3, Z = 4, Dc =1.518 g/cm3,μ = 0.882 mm-1, F(000) = 964, S = 1.053, the final R = 0.0401 and wR = 0.0984 for 3135 observed reflections (I ＞ 2σ(I)). Single-crystal X-ray analysis revealed that the Co(Ⅱ) ion is six-coordinated. The cobalt complex forms a one-dimensional chain structure via phthalate bridging ligand. In the cobalt complex, a 3D network structure is formed by π-π stacking interaction of 1,10-phenanthroline as well as intermolecular hydrogen bonding interactions.     

Hydrothermal Synthesis and Crystal Structure of a Cadmium(Ⅱ) Polymer with One-dimensional Chain Structure: [Cd(bpy)(BDC)]n·nbpy

A metal-organic coordination polymer [Cd(bpy)(BDC)]n·nbpy (bpy = 2,2'-bipyri- dine, H2BDC = terephthalic acid) has been hydrothermally synthesized and structurally characteri- zed by elemental analysis, IR spectrum, TG and single-crystal X-ray diffraction. The complex crystallizes in monoclinic, space group C2/c with a = 15.723(5), b = 21.695(5), c = 7.576(5)(A), β = 116.171(7)o, V = 2319.3(18)(A)3, C28H20CdN4O4, Mr = 588.88, Dc = 1.686 g/cm3, μ(MoKα) = 0.987 mm(1, F(000) = 1184, Z = 4, the final R = 0.0464 and wR = 0.0831 for 1882 observed reflections (Ⅰ ＞ 2σI)). It exhibits a three-dimensional network with channels constructed from one-dimensional coordination chains via C-H…O hydrogen bonds and significant aromatic π-π stacking interactions.     

Hydrothermal Synthesis and Crystal Structure of a New 2D Mn（Ⅱ） Coordination Polymer with 4,4′-Sulfonyldi Benzoic Acid and 1,4-Bis（imidazol-1-ylmethyl）benzene Ligands

A novel manganese coordination polymer [Mn2(sfdb)2(biyb)2(H2O)2]n (1, H2sfdb=4,4′-sulfonyldibenzoic acid, biyb=1,4-bis(imidazol-1-ylmethyl)benze) has been hydrothermally synthesized and structurally characterized by single-crystal X-ray determination, IR and thermogravimetric analysis (TGA). Complex 1 crystallizes in the triclinic system, space group P with a=10.138(4), b=11.187(5), c=13.582(6) γ, α=69.146(7), β=89.628(7), γ=77.076(7)°, Mn2C56H48N8O14S2, Mr=1231.02, V=1398.5(10) ·3, Dc=1.462 g/cm3, F(000)=634, μ=0.600 mm-1, S=1.088 and Z =1. The final refinement gave R=0.0570 and wR=0.1229 for 4889 observed reflections with I > 2σ(I). Interestingly, in complex 1, the sfdb2- and biyb ligands connect the Mn(II) ions into two-dimensional 2-fold interpenetrating layers, and such layers are further connected with each other to generate a 3D supramolecular structure through hydrogen bonding interaction.     

Hydrothermal Synthesis and Crystal Structure of a Manganese(Ⅱ) Polymer with a Two-dimensional Network Structure:[Mn(pzdc)(phen)]_n·nH_2O

A metal-organic coordination compound formulated as [Mn(pzdc)(phen)]n·nH2O 1 (H2pzdc=pyrazine-2,3-dicarboxylic acid,phen=1,10-phenanthroline) has been hydrothermally synthesized and structurally characterized by elemental analysis,IR,TG and single-crystal X-ray diffraction.The title compound crystallizes in the monoclinic system,space group P21/n with a= 11.7689(18),b=11.7458(18),c=13.360(2),β=110.341(2)o,V=1731.7(5)3,C18H12MnN4O5,Mr=419.26,Dc=1.608 g/cm3,μ(MoKα)=0.803 mm-1,F(000)=852,Z=4,the final R=0.0323 and wR=0.0823 for 2831 observed reflections (I 2σ(I)).It exhibits an interesting two-dimen-sional network structure.     

Synthesis, Crystal Structure and Luminescent Properties of a Novel 2D Sheet Cd(Ⅱ) Coordination Polymer [Cd(Cpna)(Py)]n

A coordination polymer, [Cd(cpna)(py)]n(H2cpna = 5-(2-carboxylphenyl) nicotic acid, py = pyridine) 1 has been hydrothermally synthesized and characterized by elemental analysis, IR, TG, fluorescence spectra and single-crystal X-ray diffraction. Colorless crystals crystallize in the monoclinic system, space group P21/c with a = 8.589(2), b = 13.047(3), c = 14.940(4) , β = 96.001(2)°, V = 1664.9(7) 3 , C18H12CdN2O4 , Mr = 432.70, Dc = 1.726 g/cm 3 , F(000) = 856, Z = 4, μ(MoKα) = 1.337 mm -1 , the final R = 0.0396 and wR = 0.0891 for 2422 observed reflections (I > 2σ(I)). Complex 1 exhibits a two-dimensional (2D) sheet structure, which further builds a three-dimensional (3D) supramolecular architecture via C-H···O hydrogen-bonding interactions.     

Synthesis and Crystal Structure of a Novel Three-dimensional Manganese(Ⅱ)Coordination Polymer:[Mn(pdc)]n(pdc=Pyridine-2,4-dicarboxylate)

A novel manganese(Ⅱ)coordination polymer[Mn(pdc)]n(pdc=pyridine-2,4-dicarboxylate)has been synthesized under hydrothermal conditions.The crystal is of monoclinic,space group P21/n with a=6.506(4),b=9.392(6),c=11.217(7)(A),β=105.650(12)°,V=660.0(7)(A)3,z=4,Mr=220.04.Dc=2.215 g/cm3,μ=1.971 mm-1,F(000)=436,Rint=0.0345,R=0.0360 and wR=0.0778 for 1259 observed reflections with I＞2a(I).In the structure.the Mn(Ⅱ)atom is coordinated in a distorted octahedral arrangement by one pyridine N and five carboxylate O atoms from five pac ligands,each of which coordinates to five Mn atoms to propagate a three-dimensional layered framework.     

Synthesis,Crystal Structure and Characterization of a Cobalt Coordination Polymer： [Co（1,4-ndc）（L） （H2O）]n

The title coordination polymer, [Co（1,4-ndc）（L）（H2O）]n 1 （1,4-H2ndc = 1,4-na- phthalenedicarboxylic acid and L =1-（5-（1H-imidazol- 1-yl）pentyl）- 1H-imidazole） has been hydrothermally synthesized and characterized by IR and single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/n with a = 12.4333（12）, b = 13.2963（13）, c = 13.4678（13）A, α =β = 90°, y =107.302（2）°, V= 2125.7（4）A^3, Z = 4, CoC22H22N4O5, Mr = 481.37, De = 1.504 g/cm^3, F（000） = 996, μ（MoKa） = 0.850 mm^-1, R = 0.0472 and wR = 0.0984. Compound 1 exhibits a two-dimensional layer structure. The O-H...O and C-H...O hydrogen bonds stabilize the structure of 1.     

Hydrothermal Synthesis,Crystal Structure and Luminescence Property of a 2D Manganese(Ⅱ) Coordination Polymer

Solvothermal reactions of MnCl_2·4H_2O with(pyridin-2-yl)methyl 4-(2-(4-((pyridin-2-yl)methoxy)phenyl)diazenyl)benzoate(L1) via an in situ ligand transformation reaction produced a new coordination polymer, {[Mn_(2.5)Cl_3L_2(H_2O)]·H_2O}_n(1, where HL = 4-(2-(4-((pyridin-2-yl)methoxy)phenyl)diazenyl)benzoic acid). The L1 ligand was decomposed in situ to L~- which was coordinated with Mn(Ⅱ) to form compound 1 in the solvothermal synthesis process. Complex 1 was characterized by IR spectroscopy, powder X-ray diffraction and single-crystal X-ray diffraction.Compound 1 possesses a 2D network. In addition, stability and photoluminescent property of 1 were also investigated.     

Synthesis,Crystal Structure and Characterization of a Cobalt Coordination Polymer： [Co（suc）（L）]n

The title complex, [Co（suc）（L）], 1 （L = 2-phenyl-lH-1,3,7,8-tetraazacyclopenta- [1]phenanthrene and H2suc = succinic acid） has been hydrothermally obtained and characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. It crystallizes in orthorhombic, space group Pcca with a = 13.936（3）, b = 9.918（2）, c = 28.670（6）A, V = 3962.4（14）A^3, Z = 8, CoC23H16N4O4, Mr = 471.33, Dc = 1.580 g/cm^3, F（000） = 1928,μ（MoKa） = 0.907 mm^-1, R = 0.0543 and wR = 0.1336. Compound 1 exhibits one-dimensional chain structures which are further stacked by π-π interactions to give a supramolecular layer. Finally, the N-H...O hydrogen bonds between the nitrogen atom of L and carboxylate oxygen atom stabilize the structure of 1.     

Hydrothermal Synthesis and Crystal Structure of a Three-dimensional Nickel(Ⅱ) Coordination Polymer: [Ni2(NIPH)2(bimb)2.5(H2O)] n·3nH2O

<正>A new metal-organic coordination polymer [Ni_2(NIPH)_2(bimb)_2.5(H_2O)]n·3nH_2O 1 (H_2NIPH = 5- nitroisophthalic acid, bimb = 1,4-bis(imidazol-1-yl)-butane) has been hydrothermally synthesized and structurally characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. The title complex crystallizes in the orthorhombic system, space group P4(1)2(1)2 with a = 17.3533(16), b = 17.3533(16), c = 30.802(6) , V = 9275(2) ~3, C_(41)H_(49)N_(12)Ni_2O_(16), M_r = 1083.34, D_c = 1.552 g/cm~3, μ(MoKα) = 0.897 mm~(-1), F(000) = 4504, Z = 8, the final R = 0.0383 and wR = 0.0952 for 7343 observed reflections (I > 2σ(I)). It exhibits a three-dimensional network structure.