Information card for entry 4087715

Structure parameters

• Formula: C43 H50 B Co N P2
• Calculated formula: C43 H50 B Co N P2
• SMILES: [Co]123([P](C(C)C)(C(C)C)c4ccccc4[B](c4ccccc4)(c4c([P]1(C(C)C)C(C)C)cccc4)[H]3)[n]1c3c4c(cccc24)ccc3ccc1
• 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: 19.5888 ± 0.0009 Å
• b: 11.1243 ± 0.0007 Å
• c: 16.8762 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3677.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1362
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No