Information card for entry 4339886

Structure parameters

• Formula: C26 H54 Cl2 I2 N7 P3
• Calculated formula: C26 H54 Cl2 I2 N7 P3
• SMILES: [I-].IC.N1=P(N([P+](N=P1(Cl)Cl)(NC1CCCCC1)NC1CCCCC1)C)(NC1CCCCC1)NC1CCCCC1
• 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: 10.4381 ± 0.0007 Å
• b: 11.1776 ± 0.0008 Å
• c: 17.3682 ± 0.0012 Å
• α: 108.413 ± 0.001°
• β: 95.749 ± 0.001°
• γ: 104.783 ± 0.001°
• Cell volume: 1822.6 ± 0.2 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: 0.0378
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No