Information card for entry 4302196

Structure parameters

• Formula: C57 H13 Cl10 F20 N6 O Zn2
• Calculated formula: C57 H13 Cl10 F20 N6 O Zn2
• 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: 19.946 ± 0.002 Å
• b: 11.5872 ± 0.0014 Å
• c: 26.101 ± 0.003 Å
• α: 90°
• β: 104.959 ± 0.002°
• γ: 90°
• Cell volume: 5828 ± 1.1 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: 0.0983
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2304
• Weighted residual factors for all reflections included in the refinement: 0.2428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No