Information card for entry 1568311

Structure parameters

• Formula: C43 H61 B2 F3 Ge N3 O3 P S
• Calculated formula: C43 H61 B2 F3 Ge N3 O3 P S
• SMILES: [GeH2](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[BH2][P](c1ccccc1)(c1ccccc1)[BH2][N](C)(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: A convenient route to mixed cationic group 13/14/15 compounds
• Authors of publication: Ackermann, Matthias T.; Seidl, Michael; Grande, Riccardo; Zhou, Yuqiao; Ferguson, Michael J.; Timoshkin, Alexey Y.; Rivard, Eric; Scheer, Manfred
• Journal of publication: Chemical Science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 2313 - 2317
• a: 9.9956 ± 0.001 Å
• b: 14.6178 ± 0.0015 Å
• c: 32.816 ± 0.003 Å
• α: 90°
• β: 96.941 ± 0.002°
• γ: 90°
• Cell volume: 4759.7 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 9
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No