Information card for entry 1568802

Structure parameters

• Formula: C112 H132 Bi2 Br4 N8 O8 S4
• Calculated formula: C100 H120 Bi2 Br4 N8 O8 S4
• SMILES: [Bi]123(OS(=O)(=[N]4[Bi]5(OS(=O)(=[N]3c3c(N2c2c(N1S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)cc(Br)cc2)ccc(Br)c3)c1c(cc(cc1C(C)C)C(C)C)C(C)C)(N(c1c4cc(Br)cc1)c1c(N5S(=O)(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C)cc(Br)cc1)[n]1ccccc1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)[n]1ccccc1.c1ccccc1
• 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: 16.4085 ± 0.0016 Å
• b: 18.924 ± 0.0019 Å
• c: 19.8569 ± 0.0019 Å
• α: 83.424 ± 0.004°
• β: 89.804 ± 0.004°
• γ: 66.363 ± 0.004°
• Cell volume: 5605.3 ± 1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No