Information card for entry 4067797

Structure parameters

• Formula: C57 H41 Co
• Calculated formula: C57 H41 Co
• SMILES: [Co]1234567([C]8(=[C]1([C]2(=[C]38c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1)[cH]1[cH]4[cH]5[cH]6[cH]71
• Title of publication: An Improved Protocol for the Synthesis of [(η4-C4R4)Co(η5-C5H5)] Complexes
• Authors of publication: Bertrand, Guillaume; Tortech, Ludovic; Fichou, Denis; Malacria, Max; Aubert, Corinne; Gandon, Vincent
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 126
• a: 17.906 ± 0.011 Å
• b: 11.782 ± 0.007 Å
• c: 22.282 ± 0.013 Å
• α: 90°
• β: 94.45 ± 0.04°
• γ: 90°
• Cell volume: 4687 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1937
• Weighted residual factors for all reflections included in the refinement: 0.226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No