Information card for entry 7243805

Structure parameters

• Formula: C31 H19 Bi Br F6 N3 O4 S2
• Calculated formula: C31 H19 Bi Br 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: 10.2659 ± 0.0006 Å
• b: 10.8192 ± 0.0006 Å
• c: 14.9442 ± 0.0008 Å
• α: 91.545 ± 0.002°
• β: 92.281 ± 0.002°
• γ: 109.003 ± 0.002°
• Cell volume: 1566.73 ± 0.15 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 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: 0.0157
• Residual factor for significantly intense reflections: 0.0144
• Weighted residual factors for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections included in the refinement: 0.0338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No