Information card for entry 4127124

Structure parameters

• Formula: C42 H72 Co K N8 O6
• Calculated formula: C42 H72 Co K N8 O6
• Title of publication: Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes.
• Authors of publication: Gao, Yafei; Li, Guangyu; Deng, Liang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 12.7838 ± 0.0012 Å
• b: 18.2289 ± 0.0018 Å
• c: 20.971 ± 0.002 Å
• α: 102.495 ± 0.002°
• β: 90.43 ± 0.002°
• γ: 98.117 ± 0.002°
• Cell volume: 4719.8 ± 0.8 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.1061
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No