Information card for entry 4321255

Structure parameters

• Common name: Co(TpivPP)
• Chemical name: (α,α,α,α-tetrakis(o-pivalamidophenyl) porphyrinato)cobalt(II)
• Formula: C64 H64 Co N8 O4
• Calculated formula: C64 H64 Co N8 O4
• SMILES: [Co]123n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccccc1NC(=O)C(C)(C)C)cc2)c1ccccc1NC(=O)C(C)(C)C)cc3)c1ccccc1NC(=O)C(C)(C)C)cc6)c1ccccc1NC(=O)C(C)(C)C
• 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: 17.578 ± 0.001 Å
• b: 17.596 ± 0.001 Å
• c: 20.639 ± 0.001 Å
• α: 90°
• β: 115.03 ± 0.001°
• γ: 90°
• Cell volume: 5784.2 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0783
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.283
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No