Information card for entry 4089188

Structure parameters

• Formula: C43 H62 Co I N O2.5 P3
• Calculated formula: C43 H62 Co I N O2.5 P3
• Title of publication: Formation of 2-Azaallyl Cobalt(I) Complexes by Csp3‒H Bond Activation
• Authors of publication: Xing, Junyang; Sun, Hongjian; Xue, Benjing; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 5
• Pages of publication: 975
• a: 9.3095 ± 0.0004 Å
• b: 29.5956 ± 0.0015 Å
• c: 16.2463 ± 0.0006 Å
• α: 90°
• β: 91.872 ± 0.003°
• γ: 90°
• Cell volume: 4473.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1205
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No