Information card for entry 4324975

Structure parameters

• Formula: C65 H20 F64 N8 O5 V
• Calculated formula: C65 H20 F64 N8 O5 V
• Title of publication: Structures and Redox Characteristics of Electron-Deficient Vanadyl Phthalocyanines
• Authors of publication: Łukasz Łapok; Martin Lener; Olga Tsaryova; Stefanie Nagel; Christopher Keil; Robert Gerdes; Derck Schlettwein; Sergiu M. Gorun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4086 - 4091
• a: 29.7419 ± 0.0004 Å
• b: 13.3262 ± 0.0002 Å
• c: 41.233 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16342.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No