Information card for entry 7127889

Structure parameters

• Formula: C22 H18 B2 Co4 N2 O12
• Calculated formula: C22 H18 B2 Co4 N2 O12
• SMILES: [Co]12([Co]3(C#[O])(C#[O])(C#[O])[C]1(C)=[C]23B(N(C)C)B(N(C)C)[C]12[Co]3([Co]1(C#[O])(C#[O])(C#[O])[C]=23C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Dialkynyldiboranes(4) and the selectable reactivity of their C-H, C[triple bond, length as m-dash]C and B-B bonds.
• Authors of publication: Schorr, Fabian; Fantuzzi, Felipe; Dewhurst, Rian D.; Braunschweig, Holger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 21
• Pages of publication: 2645 - 2648
• a: 15.6359 ± 0.0006 Å
• b: 11.9136 ± 0.0005 Å
• c: 16.381 ± 0.0006 Å
• α: 90°
• β: 102.757 ± 0.002°
• γ: 90°
• Cell volume: 2976.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No