Information card for entry 7028260

Structure parameters

• Formula: C16 H28 Bi Cl2 F3 N2 O4 S
• Calculated formula: C16 H28 Bi Cl2 F3 N2 O4 S
• SMILES: [Bi](Cl)(Cl)([O]1CCCC1)(OS(=O)(=O)C(F)(F)F)=C1N(C(C)C)C(C)=C(N1C(C)C)C
• Title of publication: The first bismuth-NHC complexes.
• Authors of publication: Aprile, Antonino; Corbo, Robert; Vin Tan, Kel; Wilson, David J. D.; Dutton, Jason L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 764 - 768
• a: 9.4153 ± 0.0019 Å
• b: 10.538 ± 0.002 Å
• c: 12.433 ± 0.003 Å
• α: 102.25 ± 0.03°
• β: 92.74 ± 0.03°
• γ: 95.89 ± 0.03°
• Cell volume: 1196.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No