Information card for entry 7012596

Structure parameters

• Formula: C24 H60 N9 P3
• Calculated formula: C24 H60 N9 P3
• SMILES: P1(=NP(=NP(=N1)(NC(C)(C)C)NC(C)(C)C)(NC(C)(C)C)NC(C)(C)C)(NC(C)(C)C)NC(C)(C)C
• Title of publication: Supramolecular variations on a molecular theme: the structural diversity of phosphazenes (RNH)6P3N3 in the solid state
• Authors of publication: Bickley, Jamie F.; Bonar-Law, Richard; Lawson, Gavin T.; Richards, Philip I.; Rivals, Frederic; Steiner, Alexander; Zacchini, Stefano
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 1235
• a: 10.4238 ± 0.0018 Å
• b: 11.404 ± 0.0019 Å
• c: 14.704 ± 0.002 Å
• α: 101.117 ± 0.003°
• β: 108.382 ± 0.003°
• γ: 90.023 ± 0.003°
• Cell volume: 1624.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No