Information card for entry 4331929

Structure parameters

• Common name: 05250
• Formula: C46 H29 Co N4
• Calculated formula: C48 H30 Co N4
• Title of publication: Synthesis, Structure, and Unusual Reactivity of β-Halovinyl Cobalt Porphyrin Complexes
• Authors of publication: Fritsch, Joseph M.; Retka, Noah D.; McNeill, Kristopher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2288 - 2295
• a: 13.52 ± 0.0009 Å
• b: 13.52 Å
• c: 9.789 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1789.34 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.254
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No