Information card for entry 4118842

Structure parameters

• Common name: (ArDpme)Co(py)
• Chemical name: 5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinatocobalt(I) pyridine
• Formula: C71 H54 Co N3
• Calculated formula: C71 H54 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: 20.485 ± 0.002 Å
• b: 17.5727 ± 0.0017 Å
• c: 14.6905 ± 0.0015 Å
• α: 90°
• β: 94.802 ± 0.002°
• γ: 90°
• Cell volume: 5269.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.223
• Weighted residual factors for all reflections included in the refinement: 0.2461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No