Information card for entry 4087713

Structure parameters

• Formula: C36 H46 B Co O P2
• Calculated formula: C36 H46 B Co O P2
• SMILES: [Co]123([P](c4c(cccc4)[B]3([c]32ccccc3)c2ccccc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)Oc1ccccc1
• Title of publication: E‒H Bond Activations and Hydrosilylation Catalysis with Iron and Cobalt Metalloboranes
• Authors of publication: Nesbit, Mark A.; Suess, Daniel L. M.; Peters, Jonas C.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 19
• Pages of publication: 4741
• a: 18.307 ± 0.0007 Å
• b: 8.9745 ± 0.0004 Å
• c: 21.1421 ± 0.0009 Å
• α: 90°
• β: 106.962 ± 0.002°
• γ: 90°
• Cell volume: 3322.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.99 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: 0.0464
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No