Information card for entry 7111479

Structure parameters

• Formula: C49.5 H69 Cl3 F6 N4 O6 P2 S2
• Calculated formula: C49 H68 Cl2 F6 N4 O6 P2 S2
• SMILES: P([n+]1ccc(cc1)c1cc[n+](P=Nc2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)cc1)=Nc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C.[O-]S(=O)(=O)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.ClCCl
• Title of publication: Donor-rich and acceptor-rich pyridine-phosphadiazonium adducts: Diversifying the Lewis acceptor chemistry of phosphorus(iii)
• Authors of publication: Burford, Neil; Spinney, Heather A.; Ferguson, Michael J.; McDonald, Robert
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 23
• Pages of publication: 2696 - 2697
• a: 10.1616 ± 0.0004 Å
• b: 16.9451 ± 0.0006 Å
• c: 18.9324 ± 0.0007 Å
• α: 110.811 ± 0.0007°
• β: 91.4223 ± 0.0007°
• γ: 90.1012 ± 0.0007°
• Cell volume: 3046.1 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No