Information card for entry 7132599

Structure parameters

• Formula: C54 H76 B3 Br N6
• Calculated formula: C54 H76 B3 Br N6
• Title of publication: A bromo(boryloxy) silylene and its heavier analogues.
• Authors of publication: Guthardt, Robin; Jones, Cameron
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 12
• Pages of publication: 1583 - 1586
• a: 13.321 ± 0.003 Å
• b: 20.663 ± 0.004 Å
• c: 19.283 ± 0.004 Å
• α: 90°
• β: 100.62 ± 0.03°
• γ: 90°
• Cell volume: 5217 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0763
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.2287
• Weighted residual factors for all reflections included in the refinement: 0.2318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No