Information card for entry 4079543

Structure parameters

• Formula: C54 H62 Co N5
• Calculated formula: C54 H55 Co N5
• Title of publication: Intramolecular C(sp3)‒H Bond Activation Reactions of Low-Valent Cobalt Complexes with Coordination Unsaturation
• Authors of publication: Mo, Zhenbo; Chen, Dake; Leng, Xuebin; Deng, Liang
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 7040
• a: 10.8327 ± 0.0018 Å
• b: 15.455 ± 0.003 Å
• c: 15.49 ± 0.003 Å
• α: 115.717 ± 0.002°
• β: 90.852 ± 0.003°
• γ: 100.984 ± 0.003°
• Cell volume: 2279.7 ± 0.7 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No