Information card for entry 4109134

Structure parameters

• Chemical name: tert-Butylamidophenyltris-(1-tert-butyl-imidazol-2-ylidene)boratocobalt(II)
• Formula: C31 H47 B Co N7
• Calculated formula: C10.9412 H16.8824 B0.352941 Co0.352941 N2.47059
• 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: 15.777 ± 0.003 Å
• b: 11.349 ± 0.002 Å
• c: 30.139 ± 0.006 Å
• α: 90°
• β: 105.16 ± 0.01°
• γ: 90°
• Cell volume: 5208.7 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No