Information card for entry 4331927

Structure parameters

• Common name: 05204
• Formula: C46 H30 Br Co N4
• Calculated formula: C46 H29.9363 Br1.0637 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: 11.251 ± 0.002 Å
• b: 13.175 ± 0.003 Å
• c: 14.369 ± 0.003 Å
• α: 103.136 ± 0.003°
• β: 107.623 ± 0.003°
• γ: 102.179 ± 0.003°
• Cell volume: 1884.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No