Information card for entry 7243804

Structure parameters

• Formula: C31 H19 Bi F6 N4 O7 S2
• Calculated formula: C31 H19 Bi F6 N4 O7 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: 36.9899 ± 0.0017 Å
• b: 9.7296 ± 0.0004 Å
• c: 18.0256 ± 0.0008 Å
• α: 90°
• β: 90.543 ± 0.002°
• γ: 90°
• Cell volume: 6487.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0772
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No