Information card for entry 4331930

Structure parameters

• Formula: C8 H22 Cl2 O6 P2
• Calculated formula: C8 H22 Cl2 O6 P2
• SMILES: C(C[P+](CO)(CO)CO)[P+](CO)(CO)CO.[Cl-].[Cl-]
• Title of publication: New Oligophosphines and (Hydroxymethyl)phosphonium Chlorides
• Authors of publication: Moiseev, Dmitry; James, Brian R.; Patrick, Brian O.; Hu, Thomas Q.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 2917 - 2924
• a: 11.611 ± 0.001 Å
• b: 8.814 ± 0.001 Å
• c: 15.073 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1542.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No