Information card for entry 4087708

Structure parameters

• Formula: C36 H46 B Fe O P2
• Calculated formula: C36 H46 B Fe O P2
• SMILES: [Fe]1234([P](c5c(cccc5)[B]4(c4c([P]1(C(C)C)C(C)C)cccc4)[c]12ccccc31)(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: 17.9786 ± 0.0007 Å
• b: 10.8974 ± 0.0004 Å
• c: 33.4789 ± 0.0014 Å
• α: 90°
• β: 90.672 ± 0.0011°
• γ: 90°
• Cell volume: 6558.7 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0567
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No