Information card for entry 7012601

Structure parameters

• Formula: C36 H36 N9 P3
• Calculated formula: C36 H36 N9 P3
• SMILES: N1=P(N=P(N=P1(Nc1ccccc1)Nc1ccccc1)(Nc1ccccc1)Nc1ccccc1)(Nc1ccccc1)Nc1ccccc1
• 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: 18.16 ± 0.004 Å
• b: 7.179 ± 0.001 Å
• c: 13.001 ± 0.003 Å
• α: 90°
• β: 95.22 ± 0.03°
• γ: 90°
• Cell volume: 1687.9 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 0.634
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No