Information card for entry 4339881

Structure parameters

• Formula: C25 H63 I N9 P3
• Calculated formula: C25 H63 I N9 P3
• SMILES: [I-].[P+]1(N(P(=NP(=N1)(NC(C)(C)C)NC(C)(C)C)(NC(C)(C)C)NC(C)(C)C)C)(NC(C)(C)C)NC(C)(C)C
• 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: 10.322 ± 0.003 Å
• b: 11.793 ± 0.003 Å
• c: 16.481 ± 0.004 Å
• α: 92.571 ± 0.006°
• β: 101.898 ± 0.005°
• γ: 105.756 ± 0.006°
• Cell volume: 1878.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No