Information card for entry 1568747

Structure parameters

• Formula: C54 H75 B Cl2 N2 Si3
• Calculated formula: C54 H75 B Cl2 N2 Si3
• SMILES: Cl[Si](Cl)(=C1B(C)C([Si](C)(C)C)([Si](C)(C)C)C(=C1c1cc(C)cc(c1)C)c1cc(cc(c1)C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.
• Authors of publication: Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 5148 - 5159
• a: 17.1027 ± 0.0009 Å
• b: 15.8004 ± 0.0008 Å
• c: 20.5088 ± 0.0011 Å
• α: 90°
• β: 91.84 ± 0.003°
• γ: 90°
• Cell volume: 5539.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.046
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No