Information card for entry 2103884

Structure parameters

• Common name: iodine-doped uranium pthalocyianine
• Formula: C64 H32 I1.74 N16 U0.96
• Calculated formula: C64 H32 I1.744 N16 U0.958
• Title of publication: Diffuse scattering and short-range order in uranium iodine phthalocyanine [U~1{-~<i>x</i>}Pc~2~]I~2{-~<i>y</i>} and the X-ray structure analysis of crystals with diffuse superstructure reflections
• Authors of publication: Krawczyk, J.; Pietraszko, A.; Kubiak, R.; Łukaszewicz, K.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: 384 - 392
• a: 13.997 ± 0.002 Å
• b: 13.997 ± 0.002 Å
• c: 6.523 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1278 ± 0.3 ų
• Cell temperature: 293 ± 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: 0.0473
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes