Information card for entry 4087716

Structure parameters

• Formula: C30 H41 B Br Co P2
• Calculated formula: C30 H41 B Br Co P2
• SMILES: [Co]123(Br)[P](C(C)C)(C(C)C)c4c([B]3(c3c([P]1(C(C)C)C(C)C)cccc3)[c]12ccccc1)cccc4
• 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: 18.8235 ± 0.0011 Å
• b: 9.9502 ± 0.0006 Å
• c: 31.407 ± 0.0019 Å
• α: 90°
• β: 104.505 ± 0.003°
• γ: 90°
• Cell volume: 5695 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No