Information card for entry 4335259

Structure parameters

• Formula: C9 H19 Bi Cl2 F3 N O3 P2 S
• Calculated formula: C9 H19 Bi Cl2 F3 N O3 P2 S
• SMILES: [Bi]1([P](C)(C)CC[P]1(C)C)(Cl)Cl.S(=O)(=O)([O-])C(F)(F)F.CC#N
• Title of publication: Coordination Complexes of Bismuth Triflates with Tetrahydrofuran and Diphosphine Ligands
• Authors of publication: Chitnis, Saurabh S.; Burford, Neil; Decken, Andreas; Ferguson, Michael J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 7242 - 7248
• a: 21.285 ± 0.0016 Å
• b: 15.2439 ± 0.0016 Å
• c: 12.3056 ± 0.001 Å
• α: 90°
• β: 95.629 ± 0.002°
• γ: 90°
• Cell volume: 3973.5 ± 0.6 ų
• Cell temperature: 198 ± 1 K
• Ambient diffraction temperature: 198 ± 1 K
• Number of distinct elements: 9
• 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: 0.0274
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No