Information card for entry 4339891

Structure parameters

• Formula: C57 H71 Br N9 O2 P3
• Calculated formula: C57 H71 Br N9 O2 P3
• Title of publication: Alkylation and acylation of cyclotriphosphazenes.
• Authors of publication: Benson, Mark A.; Zacchini, Stefano; Boomishankar, Ramamoorthy; Chan, Yuri; Steiner, Alexander
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 7097 - 7108
• a: 16.745 ± 0.003 Å
• b: 18.004 ± 0.005 Å
• c: 19.026 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5736 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0787
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 0.779
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No