Information card for entry 4302195

Structure parameters

• Formula: C57 H13 Cl9.4 Cu2 F20 N6 O
• Calculated formula: C57 H13 Cl9.4 Cu2 F20 N6 O
• Title of publication: Homo- and Heterobismetal Complexes of 5-Hydroxy-10,15,25,30-tetrakis(pentafluorophenyl)-Substituted [26]Hexaphyrin(1.1.1.1.1.1)
• Authors of publication: Taro Koide; Gengo Kashiwazaki; Ko Furukawa; Atsuhiro Osuka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4595 - 4597
• a: 19.952 ± 0.005 Å
• b: 11.64 ± 0.003 Å
• c: 26.043 ± 0.006 Å
• α: 90°
• β: 104.898 ± 0.004°
• γ: 90°
• Cell volume: 5845 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.2128
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No