Information card for entry 7112457

Structure parameters

• Formula: C31 H40 B Cr N3 O5 Si2
• Calculated formula: C31 H40 B Cr N3 O5 Si2
• SMILES: [Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C1N(c2c(cc(cc2C)C)C)B(/C1=N\c1c(cc(cc1C)C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Cyclic (amino)(imino)carbene complexes by borylene transfer to isocyanides.
• Authors of publication: Braunschweig, Holger; Herbst, Thomas; Radacki, Krzysztof; Tate, Christopher W.; Vargas, Alfredo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 17
• Pages of publication: 1702 - 1704
• a: 9.0326 ± 0.0006 Å
• b: 22.2434 ± 0.0014 Å
• c: 9.4427 ± 0.0006 Å
• α: 90°
• β: 114.527 ± 0.003°
• γ: 90°
• Cell volume: 1726 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108874
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No