Information card for entry 4321256

Structure parameters

• Common name: Co(TpivPP)(NO~2~)(1-MeIm)
• Chemical name: (nitro)(1-methylimidazolato)(α,α,α,α-tetrakis (o-pivalamidophenyl)porphyrinato)cobalt(III)
• Formula: C68 H70 Co N11 O6
• Calculated formula: C68 H70 Co N11 O6
• Title of publication: Structural Characterization of the Picket Fence (TpivPP) Porphyrins Co(TpivPP), Co(TpivPP)(NO2)(1-MeIm), and Co(TpivPP)(NO2)(1,2-Me2Im)
• Authors of publication: Paul G. Jene; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3823 - 3827
• a: 18.522 ± 0.004 Å
• b: 18.942 ± 0.004 Å
• c: 18.177 ± 0.004 Å
• α: 90°
• β: 90.68 ± 0.03°
• γ: 90°
• Cell volume: 6377 ± 2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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: 0.1377
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No