Information card for entry 4339879

Structure parameters

• Formula: C25 H63 I N9 P3
• Calculated formula: C25 H63 I N9 P3
• SMILES: [I-].[P+]1(N(P(=NP(=N1)(NCC(C)C)NCC(C)C)(NCC(C)C)NCC(C)C)C)(NCC(C)C)NCC(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: 11.4844 ± 0.001 Å
• b: 12.8383 ± 0.0011 Å
• c: 14.8134 ± 0.0013 Å
• α: 94.308 ± 0.002°
• β: 108.88 ± 0.002°
• γ: 111.935 ± 0.002°
• Cell volume: 1868.6 ± 0.3 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: 0.044
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No