Information card for entry 7025206

Structure parameters

• Common name: Phosphazene 2 with Ethanol inclusion
• Chemical name: Phosphazene 2 with Ethanol inclusion
• Formula: C50 H114 N24 O13 P12
• Calculated formula: C50 H114 N24 O13 P12
• 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: 10.0247 ± 0.0008 Å
• b: 20.0725 ± 0.0016 Å
• c: 38.752 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7797.7 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No