Information card for entry 4122136

Structure parameters

• Formula: C10 H18 B Cl3 Ga Mo N O4 Si2
• Calculated formula: C10 H18 B Cl3 Ga Mo N O4 Si2
• SMILES: [Mo]12(B([Ga]1([Cl]2)(Cl)Cl)N([Si](C)(C)C)[Si](C)(C)C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Complete and Partial 1,2-Additions across Transition Metal-Boron Double Bonds.
• Authors of publication: Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Hupp, Florian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 27
• Pages of publication: 9560 - 9563
• a: 12.0364 ± 0.0013 Å
• b: 12.668 ± 0.002 Å
• c: 14.0217 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2138 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0178
• Residual factor for significantly intense reflections: 0.0154
• Weighted residual factors for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections included in the refinement: 0.0341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No