Information card for entry 4339896

Structure parameters

• Formula: C27 H57 Cl N9 O1.5 P3
• Calculated formula: C27 H57 Cl N9 O1.5 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: 14.0003 ± 0.0013 Å
• b: 15.0896 ± 0.0013 Å
• c: 17.9053 ± 0.0016 Å
• α: 90°
• β: 109.135 ± 0.002°
• γ: 90°
• Cell volume: 3573.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No