Information card for entry 4315050

Structure parameters

• Common name: Co(TpivPP)(2-MeIm-)(2-MeHIm), 2.65C6H6
• Formula: C87.9 H90.9 Co N12 O4
• Calculated formula: C87.9 H90.9 Co N12 O4
• Title of publication: Oxygenation of Cobalt Porphyrinates: Coordination or Oxidation?
• Authors of publication: Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Guillermo Ferraudi; A. Graham Lappin; W. Robert Scheidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2398 - 2406
• a: 24.4864 ± 0.0015 Å
• b: 14.8242 ± 0.0009 Å
• c: 21.1191 ± 0.0011 Å
• α: 90°
• β: 104.159 ± 0.002°
• γ: 90°
• Cell volume: 7433.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1968
• Weighted residual factors for all reflections included in the refinement: 0.2146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No