Information card for entry 4304051

Structure parameters

• Formula: C27 H27 Cl2 P3
• Calculated formula: C27 H27 Cl2 P3
• SMILES: Cl[H-]Cl.P1(=P[P+](CCC1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.594 ± 0.002 Å
• b: 16.088 ± 0.003 Å
• c: 12.686 ± 0.002 Å
• α: 90°
• β: 91.516 ± 0.002°
• γ: 90°
• Cell volume: 2569.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No