Information card for entry 4118844

Structure parameters

• Common name: (ArDpme)Co(NtBu)
• Chemical name: 5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinatocobalt(III) tert-butylimide
• Formula: C79 H70.33 Co N3
• Calculated formula: C79 H70.332 Co N3
• Title of publication: Co(III) Imidos Exhibiting Spin Crossover and C-H Bond Activation
• Authors of publication: Evan R. King; Graham T. Sazama; Theodore A. Betley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 17858 - 17861
• a: 11.8393 ± 0.0019 Å
• b: 16.0454 ± 0.0025 Å
• c: 16.3923 ± 0.0025 Å
• α: 89.3622 ± 0.0031°
• β: 87.7742 ± 0.0031°
• γ: 72.6584 ± 0.0031°
• Cell volume: 2970.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No