Information card for entry 4339887

Structure parameters

• Formula: C17 H43 Cl2 I N7 P3
• Calculated formula: C17 H43 Cl2 I N7 P3
• SMILES: [I-].[P+]1(N(P(=NP(=N1)(Cl)Cl)(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: 9.0159 ± 0.0006 Å
• b: 11.4296 ± 0.0007 Å
• c: 14.5537 ± 0.001 Å
• α: 92.961 ± 0.001°
• β: 104.931 ± 0.001°
• γ: 100.017 ± 0.001°
• Cell volume: 1419.65 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No