Information card for entry 7130642

Structure parameters

• Formula: C57 H37 B Bi Cl2 F24 N5
• Calculated formula: C57 H37 B Bi Cl2 F24 N5
• SMILES: [Bi]([n]1ccccc1)(Cl)(Cl)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.FC(F)(c1cc([B-](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F)F
• Title of publication: Dihalo bismuth cations: unusual coordination properties and inverse solvent effects in Lewis acidity.
• Authors of publication: Ramler, Jacqueline; Stoy, Andreas; Preitschopf, Tobias; Kettner, Janosch; Fischer, Ingo; Roling, Bernhard; Fantuzzi, Felipe; Lichtenberg, Crispin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 70
• Pages of publication: 9826 - 9829
• a: 12.1154 ± 0.0011 Å
• b: 34.301 ± 0.003 Å
• c: 14.2847 ± 0.0014 Å
• α: 90°
• β: 92.73 ± 0.004°
• γ: 90°
• Cell volume: 5929.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1338
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No