Information card for entry 4109135

Structure parameters

• Chemical name: tert-Butylimidophenyltris-(1-tert-butyl-imidazol-2-ylidene)boratocobalt(iii)
• Formula: C21.67 H32 B0.67 Co0.67 N4.67 O0.33
• Calculated formula: C21.6667 H32 B0.666667 Co0.666667 N4.66667 O0.333333
• Title of publication: Formation of a Cobalt(III) Imido from a Cobalt(II) Amido Complex. Evidence for Proton-Coupled Electron Transfer
• Authors of publication: Ryan E. Cowley; Ranko P. Bontchev; John Sorrell; Orcino Sarracino; Yanhua Feng; Haobin Wang; Jeremy M. Smith
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 2424 - 2425
• a: 9.6389 ± 0.0003 Å
• b: 20.8449 ± 0.0007 Å
• c: 17.178 ± 0.0006 Å
• α: 90°
• β: 100.028 ± 0.002°
• γ: 90°
• Cell volume: 3398.7 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No