Information card for entry 7011829

Structure parameters

• Formula: C60 H61 B Co N3 O1.5
• Calculated formula: C60 H61 B Co N3 O1.5
• Title of publication: Preparation of cationic cobalt phenoxide and ethoxide complexes and their reversible reaction with carbon dioxide
• Authors of publication: Archibald, Stephen J.; Foxon, Simon P.; Freeman, Jonathan D.; Hobson, James E.; Perutz, Robin N.; Walton, Paul H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 14
• Pages of publication: 2797
• a: 11.053 ± 0.002 Å
• b: 15.812 ± 0.003 Å
• c: 16.503 ± 0.003 Å
• α: 65.866 ± 0.012°
• β: 86.349 ± 0.014°
• γ: 72.64 ± 0.014°
• Cell volume: 2506.6 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2087
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2216
• Weighted residual factors for all reflections included in the refinement: 0.251
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No