Information card for entry 4310433

Structure parameters

• Formula: C14 H10 Cl6 N5 P3
• Calculated formula: C14 H10 Cl6 N5 P3
• SMILES: ClP1(Cl)=NC(=NP(Cl)(=NC(=N1)c1ccccc1)N=P(Cl)(Cl)Cl)c1ccccc1
• Title of publication: Synthesis of Linear and Cyclic Carbophosphazenes via an Oxidative Chlorination Strategy
• Authors of publication: Eric Rivard; Alan J. Lough; Tristram Chivers; Ian Manners
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 802 - 811
• a: 12.568 ± 0.0004 Å
• b: 8.602 ± 0.0003 Å
• c: 19.707 ± 0.0005 Å
• α: 90°
• β: 93.526 ± 0.0017°
• γ: 90°
• Cell volume: 2126.49 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No