Information card for entry 4321957

Structure parameters

• Formula: C32 H16 As0.5 I N8
• Calculated formula: C32 H16 As0.5 I N8
• Title of publication: Mixed-Valence, Disordered Structures and Characterization of Iodine-Doped Phthalocyanines: [YbPc2]I2 and [(AsPc)(Pc)]I2
• Authors of publication: Jan Janczak; Ryszard Kubiak; Adam Jezierski
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2043 - 2049
• a: 13.926 ± 0.002 Å
• b: 13.926 ± 0.002 Å
• c: 6.433 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1247.6 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 124
• Hermann-Mauguin space group symbol: P 4/m c c
• Hall space group symbol: -P 4 2c
• Residual factor for all reflections: 0.1249
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No