Information card for entry 7243808

Structure parameters

• Formula: C23 H15 Bi Br2 F3 N3 O2 S
• Calculated formula: C23 H15 Bi Br2 F3 N3 O2 S
• SMILES: [Bi]123(OC(=CC(=[O]3)C(F)(F)F)c3sccc3)(Br)(Br)[n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1
• Title of publication: Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds
• Authors of publication: Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 46
• Pages of publication: 8183 - 8197
• a: 30.2542 ± 0.0014 Å
• b: 8.7876 ± 0.0004 Å
• c: 18.6371 ± 0.0008 Å
• α: 90°
• β: 96.051 ± 0.001°
• γ: 90°
• Cell volume: 4927.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0229
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No