Information card for entry 4339883

Structure parameters

• Formula: C38 H81 I N9 O2 P3
• Calculated formula: C38 H81 I N9 O2 P3
• SMILES: [I-].[P+]1(N(P(=NP(=N1)(NC1CCCCC1)NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1)C)(NC1CCCCC1)NC1CCCCC1.OC.O
• 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: 29.3736 ± 0.0016 Å
• b: 11.0372 ± 0.0006 Å
• c: 31.7895 ± 0.0018 Å
• α: 90°
• β: 115.646 ± 0.001°
• γ: 90°
• Cell volume: 9290.9 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4339882
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No