Information card for entry 1574102

Structure parameters

• Formula: C33 H45 B Cl3 N2 P Si
• Calculated formula: C33 H45 B Cl3 N2 P Si
• SMILES: Cl[B]1([P](N=C(N([Si]1(Cl)Cl)c1c(cccc1C(C)C)C(C)C)c1ccccc1)(C(C)(C)C)C(C)(C)C)c1ccccc1
• Title of publication: An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond
• Authors of publication: Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 6763 - 6769
• a: 9.0296 ± 0.0004 Å
• b: 9.2046 ± 0.0004 Å
• c: 23.1133 ± 0.0012 Å
• α: 89.022 ± 0.002°
• β: 79.051 ± 0.002°
• γ: 63.4122 ± 0.0017°
• Cell volume: 1681.56 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No