Information card for entry 7039997

Structure parameters

• Formula: C55 H62 Co N
• Calculated formula: C55 H61.565 Co N
• 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: 39.4977 ± 0.0015 Å
• b: 10.7818 ± 0.0004 Å
• c: 25.7877 ± 0.0009 Å
• α: 90°
• β: 110.826 ± 0.003°
• γ: 90°
• Cell volume: 10264.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No