Information card for entry 4067796

Structure parameters

• Formula: C49 H57 Co
• Calculated formula: C49 H57 Co
• SMILES: [Co]1234567([C]8(=[C]1([C]2(=[C]38c1ccc(cc1)CCCC)c1ccc(cc1)CCCC)c1ccc(cc1)CCCC)c1ccc(cc1)CCCC)[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: 10.7152 ± 0.0003 Å
• b: 11.6509 ± 0.0004 Å
• c: 17.0103 ± 0.0005 Å
• α: 79.647 ± 0.001°
• β: 71.889 ± 0.002°
• γ: 89.139 ± 0.001°
• Cell volume: 1983.63 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No