Information card for entry 7108875

Structure parameters

• Formula: C37 H52 B Cr N3 O5 Si2
• Calculated formula: C37 H52 B Cr N3 O5 Si2
• SMILES: [Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C1=[N]([B](/C1=N\c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Si](C)(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Cyclic (amino)(imino)carbene complexes by borylene transfer to isocyanides
• Authors of publication: Holger Braunschweig; Thomas Herbst; Krzysztof Radacki; Christopher W. Tate; Alfredo Vargas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 17
• Pages of publication: 1702 - 1704
• a: 20.1795 ± 0.0009 Å
• b: 11.1226 ± 0.0005 Å
• c: 18.0696 ± 0.0008 Å
• α: 90°
• β: 103.233 ± 0.002°
• γ: 90°
• Cell volume: 3948 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No