Information card for entry 4334736

Structure parameters

• Formula: C80 H112 Cl2 Co2 N6 O
• Calculated formula: C80 H112 Cl2 Co2 N6 O
• Title of publication: Reversible Carbon-Carbon Bond Formation Induced by Oxidation and Reduction at a Redox-Active Cobalt Complex
• Authors of publication: Crisita Carmen Hojilla Atienza; Carsten Milsmann; Scott P. Semproni; Zoë R. Turner; Paul J. Chirik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5403 - 5417
• a: 13.552 ± 0.002 Å
• b: 17.132 ± 0.003 Å
• c: 19.656 ± 0.005 Å
• α: 102.117 ± 0.004°
• β: 94.45 ± 0.005°
• γ: 113.268 ± 0.002°
• Cell volume: 4033 ± 1.4 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 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: 0.1089
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2419
• Weighted residual factors for all reflections included in the refinement: 0.2633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No