Information card for entry 1512661

Structure parameters

• Formula: C66 H76 Cu4 Mn2 N12 O22
• Calculated formula: C66 H76 Cu4 Mn2 N12 O22
• SMILES: [Cu]1234[O]5[Mn]678(OC(=O)c9cccc%10c9[O]6[Cu]69([O]7c7c(C=[N]9CC[N]69CCN[C@@H]9%10)cccc7C(=[O]8)O[Cu]678[O]9[Mn]%10%11%12(OC(=O)c%13cccc(c9%13)C=[N]6CC[NH]7CC[NH2]8)OC(=O)c6cccc7c6[O]%10[Cu]68([N](CC[N]98CC[N][C@H]79)=Cc7cccc(c7[O]%116)C(=[O]%12)O1)[OH2])[OH2])OC(=O)c1cccc(c51)C=[N]2CC[NH]3CC[NH2]4.OC.OC
• Title of publication: A novel heterohexanuclear Schiff base complex: Synthesis, structure and magnetic properties
• Authors of publication: Bao-Lin Liu; Yan-Xia Wang; Fan-Hong Kong; Ruo-Jie Tao
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 469 - 472
• a: 10.0958 ± 0.0006 Å
• b: 13.3245 ± 0.0008 Å
• c: 13.5004 ± 0.0008 Å
• α: 96.922 ± 0.001°
• β: 106.486 ± 0.001°
• γ: 90.396 ± 0.001°
• Cell volume: 1727.13 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No