Information card for entry 7012605

Structure parameters

• Formula: C18 H24 N9 P3
• Calculated formula: C18 H24 N9 P3
• SMILES: N1=P(N=P(N=P1(NCC#C)NCC#C)(NCC#C)NCC#C)(NCC#C)NCC#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: 13.3518 ± 0.0016 Å
• b: 7.3886 ± 0.0009 Å
• c: 22.943 ± 0.003 Å
• α: 90°
• β: 101.712 ± 0.003°
• γ: 90°
• Cell volume: 2216.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No