Information card for entry 4135504

Structure parameters

• Formula: C28 H20 Bi F6 N3 O6 S4
• Calculated formula: C28 H20 Bi F6 N3 O6 S4
• Title of publication: Phosphorescent Bismoviologens for Electrophosphorochromism and Visible Light-Induced Cross-Dehydrogenative Coupling.
• Authors of publication: Ma, Wenqiang; Xu, Letian; Zhang, Sikun; Li, Guoping; Ma, Tianyu; Rao, Bin; Zhang, Mingming; He, Gang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2021
• Journal volume: 143
• Journal issue: 3
• Pages of publication: 1590 - 1597
• a: 12.9686 ± 0.0015 Å
• b: 17.018 ± 0.002 Å
• c: 14.8907 ± 0.0017 Å
• α: 90°
• β: 99.641 ± 0.002°
• γ: 90°
• Cell volume: 3240 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No