Information card for entry 4319568

Structure parameters

• Common name: spiro-[(CF2CH2O)2PHN][F2PN]3
• Formula: C4 H4 F10 N4 O2 P4
• Calculated formula: C4 H4 F10 N4 O2 P4
• SMILES: P12(=NP(=NP(=NP(=N1)(F)F)(F)F)(F)F)OCC(F)(F)C(F)(F)CO2
• Title of publication: Syntheses and Experimental Studies on the Relative Stabilities of Spiro, Ansa, and Bridged Derivatives of Cyclic Tetrameric Fluorophosphazene
• 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: 2120 - 2126
• a: 12.8938 ± 0.0002 Å
• b: 10.2999 ± 0.0002 Å
• c: 20.9684 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2784.71 ± 0.07 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0758
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No