Information card for entry 7039993

Structure parameters

• Formula: C74 H92 Co N2 O0.5
• Calculated formula: C74 H92.5 Co N2 O0.5
• Title of publication: Dinitrogen binding, P4-activation and aza-Büchner ring expansions mediated by an isocyano analogue of the CpCo(CO) fragment.
• Authors of publication: Mokhtarzadeh, Charles C.; Rheingold, Arnold L.; Figueroa, Joshua S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 37
• Pages of publication: 14561 - 14569
• a: 21.222 ± 0.003 Å
• b: 14.0788 ± 0.0017 Å
• c: 21.829 ± 0.003 Å
• α: 90°
• β: 96.131 ± 0.007°
• γ: 90°
• Cell volume: 6484.8 ± 1.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0817
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No