Information card for entry 2243122

Structure parameters

• Chemical name: Hexakis[4-(trifluoromethyl)phenoxy]cyclotriphosphazene
• Formula: C42 H24 F18 N3 O6 P3
• Calculated formula: C42 H24 F18 N3 O6 P3
• 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: 13.4906 ± 0.0011 Å
• b: 13.6573 ± 0.0011 Å
• c: 14.9377 ± 0.0013 Å
• α: 65.253 ± 0.002°
• β: 68.874 ± 0.002°
• γ: 71.715 ± 0.002°
• Cell volume: 2288 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1002
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes