Information card for entry 4088672

Structure parameters

• Common name: CoH(t-BuNC)(CNArMes2)3
• Chemical name: 'hydridotetrakis(2,6-dimesitylphenylioscyanide)(tert-butylisocyanide)cobalt'
• Formula: C171.25 H186.75 Co2 N8.5 O0.25
• Calculated formula: C171.25 H186.75 Co2 N8.5 O0.25
• 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: 14.7093 ± 0.0006 Å
• b: 20.7346 ± 0.0008 Å
• c: 24.4314 ± 0.0011 Å
• α: 88.505 ± 0.002°
• β: 84.345 ± 0.002°
• γ: 86.695 ± 0.001°
• Cell volume: 7401.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No