Information card for entry 4315321

Structure parameters

• Formula: C39.5 H72.5 Cl6.5 N11 O2 P3
• Calculated formula: C39.5 H68.5 Cl6.5 N11 O2 P3
• Title of publication: Aqueous Chemistry of Chlorocyclophosphazenes: Phosphates {PO2}, Phosphamides {P(O)NHR}, and the first Phosphites {PHO} and Pyrophosphates {(PO)2O} of These Heterocycles
• Authors of publication: Joanne Ledger; Ramamoorthy Boomishankar; Alexander Steiner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3896 - 3904
• a: 10.652 ± 0.003 Å
• b: 12.295 ± 0.004 Å
• c: 20.704 ± 0.007 Å
• α: 90.924 ± 0.006°
• β: 101.061 ± 0.005°
• γ: 101.335 ± 0.006°
• Cell volume: 2605.2 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1431
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.2325
• Weighted residual factors for all reflections included in the refinement: 0.2597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No