Information card for entry 4116712

Structure parameters

• Formula: C4 H6 B Cl4 F6 N3 O6 P2 S2
• Calculated formula: C4 H6 B Cl4 F6 N3 O6 P2 S2
• SMILES: S(=O)(=O)(C(F)(F)F)O[B]1([N](=P(Cl)(Cl)N=P(Cl)(Cl)N1C)C)OS(=O)(=O)C(F)(F)F
• Title of publication: Attempted Generation of the Thionylphosphazene Cation [NSO(NPCl2)2]+: Novel Reactivity and the Discovery of an Ambient Temperature Ring-Opening Polymerization Route to Poly(thionylphosphazenes)
• Authors of publication: Derek P. Gates; Mark Edwards; Louise M. Liable-Sands; Arnold L. Rheingold; Ian Manners
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 3249 - 3250
• a: 12.9815 ± 0.0012 Å
• b: 13.6426 ± 0.0012 Å
• c: 14.1406 ± 0.0015 Å
• α: 71.576 ± 0.01°
• β: 62.702 ± 0.005°
• γ: 77.082 ± 0.008°
• Cell volume: 2102.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections: 0.1786
• Weighted residual factors for significantly intense reflections: 0.1524
• Goodness-of-fit parameter for all reflections: 0.977
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No