Information card for entry 4122862

Structure parameters

• Formula: C28 H22 B Co3 O10
• Calculated formula: C28 H22 B Co3 O10
• SMILES: [Co]12([Co]3([Co]1(C23OB(c1c(cc(C)cc1C)C)c1c(C)cc(cc1C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.
• Authors of publication: Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 44
• Pages of publication: 15730 - 15741
• a: 14.1205 ± 0.0004 Å
• b: 13.8672 ± 0.0004 Å
• c: 14.9082 ± 0.0004 Å
• α: 90°
• β: 98.874 ± 0.003°
• γ: 90°
• Cell volume: 2884.26 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9948
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No