Information card for entry 4310431

Structure parameters

• Formula: C23 H25 Cl2 N2 P
• Calculated formula: C23 H25 Cl2 N2 P
• SMILES: Cl[P+](/N=C(/NC(C)(C)C)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• 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: 22.471 ± 0.0001 Å
• b: 8.726 ± 0.0004 Å
• c: 22.9941 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4508.7 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No