Information card for entry 4335256

Structure parameters

• Formula: C9 H19 Bi Br2 F3 N O3 P2 S
• Calculated formula: C9 H19 Bi Br2 F3 N O3 P2 S
• SMILES: [Bi]1(Br)(Br)[P](CC[P]1(C)C)(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(#N)C
• 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: 21.137 ± 0.003 Å
• b: 15.327 ± 0.003 Å
• c: 12.654 ± 0.002 Å
• α: 90°
• β: 94.498 ± 0.003°
• γ: 90°
• Cell volume: 4086.8 ± 1.2 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 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: 0.0464
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No