Information card for entry 4087711

Structure parameters

• Formula: C39 H49 B Fe N2 P2
• Calculated formula: C39 H49 B Fe N2 P2
• 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: 11.9514 ± 0.001 Å
• b: 22.7818 ± 0.0015 Å
• c: 13.252 ± 0.0011 Å
• α: 90°
• β: 102.923 ± 0.005°
• γ: 90°
• Cell volume: 3516.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• 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: 0.102
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No