Information card for entry 1568743

Structure parameters

• Formula: C53 H72 B Cl3 N2 Si3
• Calculated formula: C53 H72 B Cl3 N2 Si3
• SMILES: ClB1C(=[Si](Cl)(Cl)=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)C(=C(C1([Si](C)(C)C)[Si](C)(C)C)c1cc(cc(c1)C)C)c1cc(C)cc(c1)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: 17.122 ± 0.0014 Å
• b: 15.7803 ± 0.0013 Å
• c: 20.5144 ± 0.0017 Å
• α: 90°
• β: 91.669 ± 0.001°
• γ: 90°
• Cell volume: 5540.4 ± 0.8 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: 0.045
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No