Information card for entry 4315323

Structure parameters

• Formula: C48 H100.5 Cl2.5 N14 O7 P6
• Calculated formula: C48 H98.5 Cl2.5 N14 O7 P6
• 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: 10.106 ± 0.008 Å
• b: 17.588 ± 0.014 Å
• c: 19.836 ± 0.016 Å
• α: 96.809 ± 0.016°
• β: 104.328 ± 0.019°
• γ: 100.413 ± 0.016°
• Cell volume: 3310 ± 5 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: 0.1196
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.189
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No