四(1-乙基咪唑)二异硫氰酸锰的晶体结构和热性能

A complex [Mn(NCS)₂(Eim)₄] (where Eim=1-ethylimidazole) has been synthesized and structurally cha-racterized by X-ray diffraction single-crystal structure analysis. The compound crystallizes in the Orthorhombic space group Pbca with the cell parameters: a=1.618 9(3) nm, b=1.787 4(4) nm, c=1.999 4(4) nm, and V=5.786(2) nm³, Z=8. In the structure, each Mn atom is coordinated by four Eim ligands and a pair of monodentate isothiocyanic groups, affording a compressed octahedral MnN₆ core. The NCS^- anions are trans and four N atoms from the Eim ligands define the equatorial plane. The C-H…π supramolecular interactions between C-H and imidazole rings of Eim link the molecules into independent chains running along the c-axis. The thermal gravity(TG) data indicates that thermal decomposition of the title complex takes place in two steps, the residue is Fe. CCDC: 646113.     

四（1-乙烯基咪唑）二异硫氰酸镉的晶体结构和电化学性能

A complex [Cd(NCS)₂(Vim)₄] (where Vim=1-vinylimidazole) was synthesized and it′s crystal structure was determined by X-ray diffraction technique. The compound crystallizes in the Monoclinic space group P2₁/c with the parameters: a=0.858 50(17) nm, b=0.909 90(18) nm, c=1.782 3(4) nm, β=100.14(3)°, V=1.370 5(5) nm³, Z=2. In the structure, each Cd atom is coordinated by four 1-vinylimidazole ligands and a pair of monodentate isothiocyanic groups, affording a compressed octahedral CdN₆ core. The NCS^- anions are trans and four N atoms from the 1-vinylimidazole ligands define the equatorial plane. From the cyclic voltammogram measurement in H₂O, we know that the electrode reaction was a quasi-reversible process. CCDC: 630897.     

配位聚合物[Cu(pa)(vim)2]n的合成、晶体结构和电化学性质研究

本文合成了一种新型配位聚合物[Cu(pa)(vim)2]n(pa为邻苯二甲酸阴离子,vim为1-乙烯基-1H-咪唑),并用x射线单晶衍射仪和元素分析表征了其单晶结构。晶体属单斜晶系,C2/c空间群,晶胞参数分别为：a＝1.6527(3) nm, b＝0.81800(16) nm, c＝1.4463(3) nm, β＝113.19(3)°, V＝1.7973(7) nm3, Z＝4, Dc＝1.537 g?cm－3。 [I＞2σ(I)]时：R1＝0.0476, wR2＝0.1235,对所有数据：R1＝0.0693, wR2＝0.1355。配合物的结构中存在沿着c轴的zigzag聚合链。每个铜原子位于晶体中心,与两个N原子和两个O原子进行配位,形成了扭曲的平面结构。电化学研究表明在配合物中Cu2+/Cu+的氧化还原是一个单电子的准可逆过程。     

Crystal,Thermal Behavior and Electrochemical Property of Dichloro-tri（N-ethylimidazole）-cadmium

The title compound Cd（Eim）3Cl2 （Eim = N-ethylimidazole） I has been synthesized and structurally characterized by single-crystal X-ray diffraction. The compound crystallizes in the monoclinic system, space group P2 1 with a = 8.0460（16）, b = 29.186（6）, c = 8.8960（18）A,β= 100.06（3）°, C15H24CdCl2N6, Mr = 471.71, V = 2056.9（7）A^3 Z = 4, Dc = 1.523 g/cm^3,/1 = 1.330 mm^-1, F（000） = 952, the final R = 0.0455 and wR = 0.0723. The title compound crystallizes with two molecules in the asymmetric unit. Each Cd^II ion is coordinated by three Eim ligands and two Cl anions in a trigonal bipyramidal geometry in two molecules. The weak intermolecular C-H……Cl hydrogen bonds link the molecules into two independent hydrogen-bonded chains running along the c axis. According to the cyclic voltammogram measurement in H2O, the electrode reaction should be a quasi-reversible process.     

Synthesis and Crystal Structure of Tetrakis（1- vinylimidazole-kN^3）diisothiocyanatomanganese（II）

The title compound I （C22H24MnN10S2, Mr = 547.57） has been synthesized and structurally characterized by single-crystal X-ray diffraction. The compound crystallizes in the monoclinic system, space group P2 1/c with a = 8.6010（17）, b = 9.0180（18）, c = 17.773（4）A, β = 101.79（3）°, V = 1349.5（5）A^3, Z = 2, Dc = 1.348 g/cm^3,/1 = 0.674 mm^-1, F（000） = 566, the final R = 0.0488 and wR = 0.1289. In the structure, each Mn atom is coordinated by four Vim （Vim = 1-vinylimidazole） ligands and a pair of monodentate isothioeyanic groups, affording a compressed oetahedral MnN6 core.