Information card for entry 7025208

Structure parameters

• Common name: Phosphazene 3 with propylene sulfide inclusion
• Chemical name: Phosphazene 3 with propylene sulfide inclusion
• Formula: C50.78 H48 N12 O6 P6 S0.89
• Calculated formula: C49.518 H48 N12 O6 P6 S0.556
• Title of publication: Synthesis and inclusion behavior of cyclotriphosphazene molecules with asymmetric spiro rings.
• Authors of publication: Lee, David K. Y.; Jackson, Anne-Martine S; Fushimi, Toshiki; Yennawar, Hemant; Allcock, Harry R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 22
• Pages of publication: 5341 - 5348
• a: 30.844 ± 0.004 Å
• b: 30.844 ± 0.004 Å
• c: 16.089 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13256 ± 4 ų
• Cell temperature: 144 ± 2 K
• Ambient diffraction temperature: 144 ± 2 K
• Number of distinct elements: 6
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.1598
• Residual factor for significantly intense reflections: 0.1169
• Weighted residual factors for significantly intense reflections: 0.2973
• Weighted residual factors for all reflections included in the refinement: 0.3332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No