摘要
The title complex, [CaCu(C3H2O4)2(H2O)4]n, with a formula of C6H12CaCuO12 and Mr=379.78 has been sy-nthesized and characterized by single crystal X-ray diffraction structure analysis, elemental analysis, IR spectra and TG-DTG techniques. The results show that the crystal is Orthorhombic, space group Pbcn with a=0.669 21(5) nm, b=1.370 23(5) nm, c=1.322 39(10) nm, V=1.212 59(16) nm3, Dc=2.080 g·cm-3, μ=2.288 mm-1, F(000)=772 and Z=4. The final R=0.054 0 and wR=0.112 8 for 1 189 observed reflections with I>2σ(I). The structure of the title complex consists of CaO8 polyhedra and CuO6 elongated octahedra linked together by malonate ligands. The Ca(Ⅱ) cation, on a twofold axis, is coordinated by two water molecules and six malonate O atoms. The Cu(Ⅱ) cation, which lies in a centre of symmetry in an octahedral arrangement, is coordinated by four malonate O atoms and two water molecules. The structure comprises alternating layers along the [101] plane, with the shortest Cu…Cu distance of 0.762 46(6) nm. The whole 3D structure is maintained and stabilized by the presence of hydrogen bonds. Its thermo gravimetric analysis was determined by TG-DTG techniques. CCDC:663184.
The title complex, [CaCu（C3HEO4）E（HEO）4]n, with a formula of C6H12CaCuO12 and Mr=379.78 has been synthesized and characterized by single crystal X-ray diffraction structure analysis, elemental analysis, IR spectra and TG-DTG techniques. The results show that the crystal is Orthorhombie, space group Pbcn with a=0.669 21（5） nm, b=1.370 23（5） nm, c=1.322 39（10） nm, V=1.212 59（16） nm^3, Dc=2.080 g·cm^-3,μ=2.288 mm^-1, F（000）=772 and Z=4. The final R=0.0540 and wR=0.112 8 for 1 189 observed reflections with I〉2σ（I）. The structure of the title complex consists of CaO8 polyhedra and CuO6 elongated octahedra linked together by malonate ligands. The Ca（H） cation, on a twofold axis, is coordinated by two water molecules and six malonate O atoms. The Cu（Ⅱ） cation, which lies in a centre of symmetry in an octahedral arrangement, is coordinated by four malonate O atoms and two water molecules. The structure comprises alternating layers along the [101] plane, with the shortest Cu... Cu distance of 0.762 46（6） nm, The whole 3D structure is maintained and stabilized by the presence of hydrogen bonds. Its thermo gravimetric analysis was determined by TG-DTG techniques. CCDC： 663184.
出处
《无机化学学报》
SCIE
CAS
CSCD
北大核心
2007年第10期1784-1788,共5页
Chinese Journal of Inorganic Chemistry
基金
安徽省高校青年教师资助计划项目(No.2007jql179)
皖西学院青年项目(No.WXZQ0603)
关键词
钙
铜
丙二酸
晶体结构
热稳定性
calcium
copper
malonate
crystal structure
thermal stability
