Information card for entry 7129358

Structure parameters

• Formula: C26 H36 B Cl Si2 Sn
• Calculated formula: C26 H36 B Cl Si2 Sn
• SMILES: [Sn]1234[C]5([B]1(Cl)[C]3([Si](C)(C)C)=[C]4([C]2=5c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)[Si](C)(C)C
• Title of publication: Borole-based half-sandwich complexes of germanium and tin
• Authors of publication: Sarcevic, Julijan; Heitkemper, Tobias; Sindlinger, Christian P.
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 18.8007 ± 0.0008 Å
• b: 11.4507 ± 0.0005 Å
• c: 25.8667 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5568.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No