Information card for entry 1568801

Structure parameters

• Formula: C49 H75 Bi N5 O4 S2
• Calculated formula: C49 H75 Bi N5 O4 S2
• Title of publication: Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis
• Authors of publication: Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.
• Journal of publication: Chemical Science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4549 - 4563
• a: 33.0206 ± 0.001 Å
• b: 10.3986 ± 0.0003 Å
• c: 29.787 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10227.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No