Information card for entry 7132600

Structure parameters

• Formula: C108 H152 B6 Cl6 N12 O2 Si2
• Calculated formula: C108 H152 B6 Cl6 N12 O2 Si2
• 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: 19.4723 ± 0.0001 Å
• b: 23.1794 ± 0.0001 Å
• c: 24.8889 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11233.8 ± 0.09 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No