Information card for entry 4503490

Structure parameters

• Formula: C52 H42 Fe2 N4 O7 Zn
• Calculated formula: C52 H42 Fe2 N4 O7 Zn
• SMILES: [Zn]1(OC(=O)C(NC(=O)c2ccccc2)=C[c]23[Fe]456789%10([cH]%11[cH]4[cH]5[cH]6[cH]7%11)[cH]2[cH]8[cH]9[cH]3%10)(OC(=O)C(NC(=O)c2ccccc2)=C[c]23[cH]4[Fe]56789%102([cH]2[cH]8[cH]7[cH]6[cH]52)[cH]3[cH]9[cH]4%10)([OH2])[n]2cccc3ccc4ccc[n]1c4c23
• Title of publication: From Multifunctional Precursor to Novel Reaction Products: Oligimerization and Central Metal Ion Exchange Reaction of Ferrocenyl Carboxylate Complexes
• Authors of publication: Liu, Yaru; Hou, Hongwei; Chen, Qianru; Fan, Yaoting
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 1435
• a: 32.685 ± 0.003 Å
• b: 10.1589 ± 0.0011 Å
• c: 13.718 ± 0.0014 Å
• α: 90°
• β: 103.483 ± 0.001°
• γ: 90°
• Cell volume: 4429.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No