Information card for entry 7215365

Structure parameters

• Formula: C66 H35 Cl6 N3 O6 P3
• Calculated formula: C66 H35 Cl6 N3 O6 P3
• Title of publication: Synthesis and crystal structure of tris(2,3-triphenylenedioxy)cyclotriphosphazene: a new clathration system
• Authors of publication: Reynes, Mathias; Dautel, Olivier J.; Virieux, David; Flot, David; Moreau, Joël J. E.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 6050
• a: 8.769 ± 0.002 Å
• b: 15.024 ± 0.002 Å
• c: 21.216 ± 0.002 Å
• α: 94.818 ± 0.003°
• β: 99.983 ± 0.005°
• γ: 98.226 ± 0.006°
• Cell volume: 2707.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0762
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1895
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.8726 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No