Information card for entry 7003873

Structure parameters

• Formula: C15 H27 F6 O6 P4 S2 Tl
• Calculated formula: C15 H27 F6 O6 P4 S2 Tl
• SMILES: [C@@]12(C(C)(C)C)P3([C@@]4(C(C)(C)C)P1P2=34)[P+](C)(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Tl+]
• Title of publication: Nucleophilic substitution reactions of the tricyclic triphosphorus cage P3(CBut)2: a novel route to polyphosphorus phosphenium complexes
• Authors of publication: Willans, Charlotte E.; Fish, Cheryl; Green, Michael; Kilby, Richard J.; Lynam, Jason M.; Russell, Christopher A.; Whitwood, Adrian C.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 26
• Pages of publication: 3422 - 3428
• a: 13.6272 ± 0.0013 Å
• b: 10.5615 ± 0.001 Å
• c: 19.5594 ± 0.0019 Å
• α: 90°
• β: 94.211 ± 0.002°
• γ: 90°
• Cell volume: 2807.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No