Information card for entry 4334735

Structure parameters

• Formula: C33 H42 Co N5
• Calculated formula: C33 H42 Co N5
• SMILES: CC1c2cccc3C(=C)N(c4c(cccc4C(C)C)C(C)C)[Co]([N]=1c1c(cccc1C(C)C)C(C)C)([n]23)[N]#N
• 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: 8.427 ± 0.005 Å
• b: 17.874 ± 0.005 Å
• c: 20.132 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3032 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No