Information card for entry 7118622

Structure parameters

• Formula: C38 H57 F12 N11 O12 P4 S8
• Calculated formula: C38 H57 F12 N11 O12 P4 S8
• SMILES: C(#N)C.C(#N)C.C(#N)C.c1(n(c(c(C)[n+]1C)C)C)P1SP(c2n(c(c(C)[n+]2C)C)C)SP(c2n(c(c(C)[n+]2C)C)C)SP(c2n(c(c(C)[n+]2C)C)C)S1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Tetra-cationic imidazoliumyl-substituted phosphorus-sulfur heterocycles from a cationic organophosphorus sulfide.
• Authors of publication: Henne, Florian D.; Watt, Fabian A.; Schwedtmann, Kai; Hennersdorf, Felix; Kokoschka, Malte; Weigand, Jan J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2023 - 2026
• a: 9.1184 ± 0.0007 Å
• b: 13.9277 ± 0.001 Å
• c: 25.5013 ± 0.0018 Å
• α: 101.117 ± 0.001°
• β: 91.826 ± 0.001°
• γ: 94.621 ± 0.001°
• Cell volume: 3163.8 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 1 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: 0.0651
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No