Information card for entry 4326850

Structure parameters

• Formula: C18 H15 Cl2 I7 P
• Calculated formula: C18 H15 Cl2 I7 P
• Title of publication: [(Ph)3PBr][Br7], [(Bz)(Ph)3P]2[Br8], [(n-Bu)3MeN]2[Br20], [C4MPyr]2[Br20], and [(Ph)3PCl]2[Cl2I14]: Extending the Horizon of Polyhalides via Synthesis in Ionic Liquids
• Authors of publication: Michael Wolff; Alexander Okrut; Claus Feldmann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11683 - 11694
• a: 11.505 ± 0.002 Å
• b: 17.581 ± 0.003 Å
• c: 17.67 ± 0.006 Å
• α: 90°
• β: 123.02 ± 0.02°
• γ: 90°
• Cell volume: 2996.8 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No