Information card for entry 7102274

Structure parameters

• Formula: C35 H44 Cl6 F6 N6 O6 P2 S2
• Calculated formula: C35 H44 Cl6 F6 N6 O6 P2 S2
• SMILES: P2(N(c1c(cccc1C)C)P(N2c1c(cccc1C)C)[n+]1ccc(cc1)N(C)C)[n+]1ccc(cc1)N(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Bifunctional diphosphorus Lewis acids from cyclodiphosphadiazanes.
• Authors of publication: Davidson, Reagan J; Weigand, Jan J; Burford, Neil; Cameron, T Stanley; Decken, Andreas; Werner-Zwanziger, Ulrike
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 44
• Pages of publication: 4671 - 4673
• a: 10.872 ± 0.004 Å
• b: 12.643 ± 0.005 Å
• c: 18.914 ± 0.008 Å
• α: 99.381 ± 0.005°
• β: 101.844 ± 0.006°
• γ: 97.875 ± 0.006°
• Cell volume: 2471.1 ± 1.7 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.1179
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.2139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No