Information card for entry 4104004

Structure parameters

• Formula: C18 H15 Cl6 N2 P3
• Calculated formula: C18 H15 Cl6 N2 P3
• SMILES: [Cl-].ClP(Cl)(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N=P(Cl)(Cl)Cl
• Title of publication: Probing the Mechanism of the PCl5-Initiated Living Cationic Polymerization of the Phosphoranimine Cl3P=NSiMe3 using Model Compound Chemistry
• Authors of publication: Vivienne Blackstone; Alan J. Lough; Martin Murray; Ian Manners
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3658 - 3667
• a: 10.6478 ± 0.0003 Å
• b: 16.6197 ± 0.0004 Å
• c: 26.3441 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4661.94 ± 0.19 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: 0.0888
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No