Information card for entry 2243121

Structure parameters

• Chemical name: Hexakis(pentafluorophenoxy)cyclotriphosphazene
• Formula: C36 F30 N3 O6 P3
• Calculated formula: C36 F30 N3 O6 P3
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)OP1(=NP(=NP(=N1)(Oc1c(c(c(c(c1F)F)F)F)F)Oc1c(c(c(c(c1F)F)F)F)F)(Oc1c(c(c(c(c1F)F)F)F)F)Oc1c(c(c(c(c1F)F)F)F)F)Oc1c(c(c(c(c1F)F)F)F)F
• Title of publication: Crystal structures of three hexakis(fluoroaryloxy)cyclotriphosphazenes
• Authors of publication: Yennawar, Hemant P.; Hess, Andrew R.; Allcock, Harry R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 10
• Pages of publication: 1525 - 1530
• a: 8.1111 ± 0.0017 Å
• b: 44.054 ± 0.009 Å
• c: 12.259 ± 0.002 Å
• α: 90°
• β: 109.612 ± 0.012°
• γ: 90°
• Cell volume: 4126.3 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes