摘要：
One novel complex [Co(p-MBA)2(2,2′-bipy)(H 2O)](H20) has been synthesized by the reaction of p-methylbenzoic acid with 2,2′-bipyridine in the solvent mixture of water and methanol. It crystallizes in triclinic, space group P1̄ with a = 0.70479(14), b = 1.1211(2), c = 1.6718(3) nm, α = 103.806(3), β= 90.795(3), γ = 104.207(3)°, V= 1.2399(4) nm3, Mr = 512.41, Dc= 1.373 g/cm3, Z = 2, F(000) = 532, μ = 0.733 mm-1, R= 0.0432 and wR = 0.0957. The crystal structural analysis shows that the cobalt atom is coordinated with three oxygen atoms from two p-methylbenzoic acids and one water molecule and two nitrogen atoms from one 2,2′-bipyridine, forming a distorted square-pyramidal coordination geometry. The cyclic voltammetry behavior of the complex is also reported.
摘要：
A novel complex tri(o-bromobenzyl)tin ferrocenecarboxylate has been synthesized and its crystal structure was determined by X-ray diffraction. It belongs to orthorhombic, space group Pbca with a = 1.1340(3), b = 1.7823 (4), c = 3.0119(8) nm, V = 6.088(3) nm~3, M_r = 857.81, Z = 8, D_c = 1.872 g/cm~3, μ(MoKα) = 52.63 cm~(-1), F(000) = 3328, R = 0.0683 and wR = 0.1057. The tin atom adopts a distorted tetrahedral coordination geometry. Further studies on the title com- plex have been performed with quantum chemistry calculation at the Lanl2dz basis set level using G98W package. The stability of the complex, some frontier molecular orbital energies and com- position characteristics of some frontier molecular orbitals have been investigated.
摘要：
A new manganese coordination polymer 1, [Mn(H_2O)_4(L)]_n(ClO_4)_(2n).2nH_2O.3nL (L= 2,5-bis(4-pyridyl)-3,4-diaza-2,4-hexadiene), has been synthesized and structurally characterized.The crystal structure was determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group Pn with a = 13.9176(8), b = 15.4754(9), c = 15.9670(9) (A), β =99.5010(10)°, V = 3391.8(3) (A)~3, Z = 2, C_(56)H_(68)Cl_2MnN_(16)O_(14), M_r= 1315.10, D_c = 1.288 g/cm~3, μ =0.344 mm~(-1), F(000) = 1374, R = 0.0733 and wR = 0.2035. In the crystal the manganese atom is six-coordinated by two nitrogen atoms from 2,5-bis(4-pyridyl)-3,4-diaza-2,4-hexadiene and four oxygen atoms from water molecules, completing an octahedral geometry. The title complex exhibits a novel supramolecular layer architecture sustained by the concurrence of coordination bonds,hydrogen bonds, and π-π stacking interactions.
期刊：
Chinese Journal of Structural Chemistry,2007年26(7):749-752 ISSN：0254-5861
通讯作者：
Kuang, YF
作者机构：
[Kuang Yun-Fei; Li Wei; Yang Ying-Qun] Department of Chemistry and Materials Science, Hengyang Normal University;[Li Chang-Hong] Department of Chemistry and Chemical Engineering, Hunan Institute of Technology
通讯机构：
[Kuang, YF ] ;Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.
摘要：
A new nickel(II) coordination complex [Ni(phen)3]·(m- nitrobenzoic acid)2-(H2O) was synthesized by self-assembly of m-nitrobenzoic acid, 1,10-phenanthroline and nickelous Perchlorate. It crystallizes in the monoclinic system, space group C2/c, with a = 2.4596(6), b = 1.2124(3), c = 1.9824(5) nm, β = 97.088(5)°, V = 5.866(3) nm 3, Dc = 1.474 g/cm3, Z = 4, Mr = 1301.82, μ(MoKα) = 0.417 mm-1 F(000) = 2688, R - 0.0493 and wR = 0.1025. Structural determination indicates that the nickel(II) ion is coordinated with six nitrogen atoms from three phens, giving a distorted octahedral coordination geometry. The cyclic voltametric analysis shows that the electron transfer in the electrode reaction is irreversible.
摘要：
The title compound, [Mn(2,4,6-TMBA)2(H2O) 3]n·2nH2O (1), where 2,4,6-TMBA=2,4,6-trimethylbenzoic acid, was synthesized and its crystal structure was determined by X-ray diffraction analysis. The crystal is of monoclinic, space group C2/c with a=2.9299(6) nm, 6=1.0364(2) nm, c=8.22204(17) nm, V=2.4947(9) nm3, Z=4, M=471.40, Dc=1.255 g·cm-3, μ=0.571 mm-1, F(000)=996, R int=0.0294, R=0.0376 and wR=0.0949. The Mn atoms are octahedrally coordinated by two O atoms of two ligands and four O atoms of water. The carboxyl group coordinates to Mn(II) in the mode of monodentate, while the O atoms of water molecules coordinates in bridging mode. The complex shows a one-dimensional chain structure bridged by water molecules.
摘要：
The title complex [Zn（L）（phen）（CH3OH）] （L = C8H6BrO4NS, aminomethanesulfonic acid 5-bromo-salicylaldelyde schiff base; phen = 1,10-phenanthroline） has been synthesized and characterized by X-ray diffraction method. The crystal belongs to monoclinic, space group P21/c with a = 1.8712（3）, b = 1.38008（19）, c = 0.83685（12） nm, β = 97.791 （2）°, Mr = 569.72, V = 2.1411 （5） nm^3, Z= 4, Dc = 1.767 g/cm^3,μ = 3.151 mm^-1, F（000） = 1144, the final R = 0.0402 and wR = 0.0885. The central Zn（Ⅱ） is six-coordinated by one nitrogen and two oxygen atoms from the Schiff base, two nitrogen atoms from 1,10-phenanthroline and one oxygen from methanol to form a distorted octahedral coordination geometry.
摘要：
The title complex has been synthesized by 4-methylbenzoic acid and 2,2′-bipyridine （bipy） in the mixed solvent of water and methanol. It crystallizes in the triclinic system, space group P1^- with a = 0.7047（3）, b = 1.1217（5）, c = 1.6718（7） nm, α = 103.826（7）, β = 90.772（6）, γ = 104.195（6）°, C26H25CuN2O5.50, Mr = 517.02, V = 1.2404（9） nm^3, Dc = 1.384 g/cm^3, Z = 2, F（000） = 536,μ（MoKα） = 0.921 mm^-1, R = 0.0782 and wR = 0.2172. Structural analysis shows that the copper atom is coordinated with three oxygen atoms from two 4-methylbenzoic acids and one water molecule together with two nitrogen atoms from 2,2＇-bipyridine, giving a distorted square-pyramid coordination geometry. The cyclic voltametric behavior of the complex has also been described.
期刊：
Chinese Journal of Structural Chemistry,2006年25(4):387-391 ISSN：0254-5861
通讯作者：
Li, W
作者机构：
[Li, W; Yang, YQ] Department of Chemistry and Materials Science, Hengyang Normal University;[Li, CH] Department of Chemical Engineering, Hunan Institute of Technology;[Guo, DC] College of Chemistry and Chemical Engineering, Hunan University
通讯机构：
[Li, W ] ;Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.
摘要：
A new nickel（Ⅱ） coordination complex [Ni（2,2＇-bipy）2（ClC6H4COO）（H2O）]（ClO4） was synthesized by self-assembly reaction of m-chlorobenzoic acid, 2,2＇-bipy and Ni（ClQ4h·6H2O. The crystal of the title compound belongs to monoclinic system, space group P2（1/n） with a = 0.77764（14）, b = 2.6572（5）, c = 1.3637（2） nm, β = 96.456（3）°, V= 2.8000（9） nm^3, D,, = 1.528 g/cm^3, Z = 4, Mr = 644.10, μ（MoKα） = 0.937 mm^-1, F（000） =1320, R = 0.0549 and wR = 0.1164. Structure analysis shows that the nickel（Ⅱ） ion is coordinated with four nitrogen atoms from two bipys as well as two oxygen atoms from m-chlorobenzoic acid and water, respectively, giving a distorted octahedral coordination geometry. The cyclic voltametric behavior of the complex is also presented.
作者机构：
[Deng, YF; Feng, YL; Chen, MS; Kuang, DZ; Zhang, CH] Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China.
通讯机构：
[Kuang, DZ] H;Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China.
关键词：
二丁基锡配合物;席夫碱;合成;晶体结构
摘要：
The title complex {[nBu2Sn(2-OHC6H 4CH=NC6H4COO)]20} 2·2H2O was synthesized by the reaction of N-(4-carboxyphenyl)-salicylideneimine with dibutyltin(IV) oxide in 1:1 molar ratio. The compound has been characterized by elemental analysis, IR, 1H NMR spectra and X-ray single crystal diffraction. It crystallizes in triclinic system with space group P1̄. The crystal data are: a=1.2429(2) nm, b=1.261 3(2) nm, c=1.5949(3) nm, α=102.06(2)°, β= 92.884(3)°, γ=95.939(3)°, Z=2, Dc=1.342 g·cm-3, F(000)=1 000, V=2.425 2(7) nm3, R 1=0.041 5, wR2=0.1044. The compound is in centro-symmetric dimer structure mode with a four-member central endo-cyclic Sn 2O2 unit in which the bridging oxygen atoms are tri-coordinated. All the tin atoms are five-coordinated with geometry of distorted trigonal bipyramid. CCDC:286105.
作者机构：
[冯泳兰; 匡云飞; 许金生] Department of Chemistry and Materials Science, Hengyang Normal University, Hengyang 421008, China;[余润兰] School of Minerals Processing and Bioengineering, Central South University, Changsha 410083, China
通讯机构：
Department of Chemistry and Materials Science, Hengyang Normal University, China
摘要：
A one-dimensional chain cobalt(II) coordination polymer with 2,4,6-trimethyl-benzoic acid, 1,10-phenanthroline and cobalt perchlorate anhydrous has been synthesized in the solvent mixture of water/methanol and characterized. Crystal data for this complex: tetragonal, space group I4(I), a = 2.0356(2), c = 1.3779(3) nm, V = 5.7096(15) nm(3), M-r = 581.51, mu(MoK alpha) = 0.644, D-c = 1.353 g/cm(3), Z = 8, F(000) = 2424, final S = 1.005, R = 0.0404 and wR = 0.0865. The crystal structure shows that the cobalt ion is coordinated with two nitrogen atoms of one 1,10-phenanthroline molecule, three oxygen atoms from three 2,4,6-trimethylbenzoic acid molecules and one water molecule, giving a distorted octahedral coordination geometry. The result of TG analysis indicates that the title complex is stable till 200 degrees C.
摘要：
A one-dimensional chain cobalt(II) coordination polymer with 2,4,6-trimethylbenzoic acid, 4,4'-bipyridine and cobalt perchlorate anhydrous has been synthesized and characterized in the mixture solvent of water and alcohol. Crystal data for this complex: monoclinic, space 3 group C2/c, a = 2.3805(8), b = 1.1464(4), c = 1.5807(5) nm, gamma = 128.435(4)degrees, V = 3.3791(18) nm(3), D-c = 1.246 g/cm(3), Z = 4, F(000) = 1340, final GooF = 1.009, R = 0.0504 and wR = 0.1287. Structural analysis shows that the cobalt ion is coordinated with two nitrogen atoms of one 4,4'-bipyridine molecule and four oxygen atoms from two 2,4,6-trimethylbenzoic acid molecules and two alcohol molecules, giving a distorted octahedral coordination geometry. The result of TG analysis indicates that the title complex is stable till 200 degrees C.
