Information card for entry 7243807

Structure parameters

• Formula: C31 H19 Bi Cl F6 N3 O4 S2
• Calculated formula: C31 H19 Bi Cl F6 N3 O4 S2
• 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: 10.3216 ± 0.0005 Å
• b: 10.7535 ± 0.0005 Å
• c: 14.8647 ± 0.0007 Å
• α: 91.665 ± 0.002°
• β: 91.689 ± 0.002°
• γ: 109.018 ± 0.002°
• Cell volume: 1557.84 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0268
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.0393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No