Information card for entry 4313454

Structure parameters

• Formula: C40 H44 Cu2 Fe2 N4 O12
• Calculated formula: C40 H44 Cu2 Fe2 N4 O12
• SMILES: C1(=O)[c]23[cH]4[Fe]56789%103([cH]2[cH]%10[cH]49)[c]2(C(=O)O[Cu]([n]3ccccc3)(OC(=O)[c]34[cH]9[cH]%10[cH]%11[cH]3[Fe]3%12%13%1449%10%11[c]4(C(=O)O[Cu](O1)([O]=CN(C)C)([OH2])[n]1ccccc1)[cH]3[cH]%12[cH]%13[cH]%144)([O]=CN(C)C)[OH2])[cH]5[cH]6[cH]7[cH]82
• Title of publication: Heterodimetallic Compounds Assembled from Ferrocenedicarboxylato and Ferrocenecarboxylato Ligands
• Authors of publication: Guo Dong; Li Yu-ting; Duan Chun-ying; Mo Hong; Meng Qing-jin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2519 - 2530
• a: 11.48 ± 0.002 Å
• b: 18.91 ± 0.004 Å
• c: 9.6536 ± 0.0019 Å
• α: 90°
• β: 108.47 ± 0.03°
• γ: 90°
• Cell volume: 1987.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No