Information card for entry 4088678

Structure parameters

• Common name: [Co(HCHNArMes2)(CNArMes2)]OTf
• Formula: C51 H52 Co F3 N2 O3 S
• Calculated formula: C51 H52 Co F3 N2 O3 S
• Title of publication: A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides
• Authors of publication: Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 14
• Pages of publication: 2309
• a: 14.8635 ± 0.0014 Å
• b: 12.9587 ± 0.0011 Å
• c: 23.5511 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4536.2 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No