Information card for entry 4118845

Structure parameters

• Common name: ArDpmeCo(NH(C6H2-2,4-Me2)-6-CH2)
• Chemical name: 5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinato -5,7-dimethyl-2-cobalt(III)-metallacycloindoline
• Formula: C81 H75 Co N3 O1.5
• Calculated formula: C81 H75 Co N3 O1.5
• 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: 11.7041 ± 0.0013 Å
• b: 16.763 ± 0.002 Å
• c: 17.822 ± 0.002 Å
• α: 70.312 ± 0.002°
• β: 70.894 ± 0.002°
• γ: 78.788 ± 0.002°
• Cell volume: 3096.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1095
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.1928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No