Information card for entry 4113348

Structure parameters

• Formula: C31 H34 F6 O6 P4 S2
• Calculated formula: C31 H34 F6 O6 P4 S2
• SMILES: P([P+](C[P+](P(c1ccccc1)c1ccccc1)(C)C)(C)C)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications
• Authors of publication: Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 17067 - 17073
• a: 27.485 ± 0.002 Å
• b: 10.863 ± 0.0008 Å
• c: 26.3827 ± 0.0019 Å
• α: 90°
• β: 112.326 ± 0.001°
• γ: 90°
• Cell volume: 7286.6 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No