Information card for entry 1568800

Structure parameters

• Formula: C45 H57 Bi N3 O4 S2
• Calculated formula: C45 H57 Bi N3 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: 11.0336 ± 0.0014 Å
• b: 12.7111 ± 0.0018 Å
• c: 17.108 ± 0.002 Å
• α: 81.082 ± 0.006°
• β: 79.522 ± 0.005°
• γ: 65.058 ± 0.005°
• Cell volume: 2131.1 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No