Information card for entry 4300151

Structure parameters

• Formula: F6 N3 P3
• Calculated formula: F6 N3 P3
• SMILES: FP1(F)=NP(F)(F)=NP(F)(F)=N1
• Title of publication: A Novel Synthesis of Hexakis(trifluoromethyl)cyclotriphosphazene. Single-Crystal X-ray Structures of N3P3(CF3)6 and N3P3F6
• Authors of publication: Rajendra Prasad Singh; Ashwani Vij; Robert L. Kirchmeier; Jean'ne M. Shreeve
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 375 - 377
• a: 6.9057 ± 0.0002 Å
• b: 12.1727 ± 0.0001 Å
• c: 8.6512 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 727.23 ± 0.03 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No