Information card for entry 4313456

Structure parameters

• Formula: C44 H38 Co2 Fe2 N4 O9
• Calculated formula: C44 H38 Co2 Fe2 N4 O9
• SMILES: c1cccc[n]1[Co]123([n]4ccccc4)[O]=C(O[Co]4([OH2]2)([n]2ccccc2)([n]2ccccc2)[O]=C(O3)[c]23[cH]5[cH]6[cH]7[cH]2[Fe]289%103567[c]3([cH]%10[cH]9[cH]8[cH]23)C(=O)O4)[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3([cH]9[cH]8[cH]7[cH]23)C(=O)O1
• 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: 18.966 ± 0.003 Å
• b: 15.462 ± 0.002 Å
• c: 14.102 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4135.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No