Information card for entry 4304052

Structure parameters

• Formula: C26 H26 Br2 O2 P2
• Calculated formula: C26 H26 Br2 O2 P2
• SMILES: O[P+](CC[P+](O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Br-]
• Title of publication: A Convenient Preparative Method for Cyclic Triphosphenium Bromide and Chloride Salts
• Authors of publication: Erin L. Norton; Kara L. S. Szekely; Jonathan W. Dube; Paolo G. Bomben; Charles L. B. Macdonald
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1196 - 1203
• a: 6.846 ± 0.002 Å
• b: 9.187 ± 0.003 Å
• c: 10.972 ± 0.004 Å
• α: 109.032 ± 0.004°
• β: 97.3 ± 0.004°
• γ: 97.678 ± 0.004°
• Cell volume: 635.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1378
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No