Information card for entry 7111478

Structure parameters

• Common name: [Mes*NP(DMAP)2][OTf]
• Formula: C33 H49 F3 N5 O3 P S
• Calculated formula: C33 H49 F3 N5 O3 P S
• SMILES: [P+](=Nc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)([n]1ccc(N(C)C)cc1)[n]1ccc(N(C)C)cc1.S(=O)(=O)([O-])C(F)(F)F
• 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: 9.6256 ± 0.0008 Å
• b: 10.3665 ± 0.0008 Å
• c: 19.7482 ± 0.0016 Å
• α: 92.2375 ± 0.0016°
• β: 98.4811 ± 0.0015°
• γ: 113.47 ± 0.0015°
• Cell volume: 1777.3 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No