Information card for entry 4319638

Structure parameters

• Common name: ansa-thionylphosphazene
• Formula: C13 H19 F2 N3 O3 P2 S
• Calculated formula: C13 H19 F2 N3 O3 P2 S
• Title of publication: Syntheses and Reactions of the Fluorinated Cyclic Thionylphosphazene NSO(Ar)[NPF2]2 (Ar = 4-t-BuC6H4-) with Difunctional Reagents
• Authors of publication: Anil J. Elias; Brendan Twamley; Jean'ne M. Shreeve
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2287 - 2291
• a: 8.5112 ± 0.001 Å
• b: 10.1847 ± 0.0012 Å
• c: 11.3687 ± 0.0013 Å
• α: 111.302 ± 0.002°
• β: 98.453 ± 0.002°
• γ: 101.392 ± 0.002°
• Cell volume: 873.87 ± 0.18 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No