Information card for entry 1513607

Structure parameters

• Common name: MesDPBPhHNiSiH2Ph
• Formula: C26.5 H26 B0.5 Ni0.5 O0.25 P Si0.5
• Calculated formula: C26.5 H26 B0.5 Ni0.5 O0.25 P Si0.5
• Title of publication: Facile Si‒H bond activation and hydrosilylation catalysis mediated by a nickel‒borane complex
• Authors of publication: MacMillan, Samantha N.; Hill Harman, W.; Peters, Jonas C.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 590
• a: 11.6097 ± 0.0008 Å
• b: 13.0379 ± 0.0009 Å
• c: 17.3875 ± 0.0012 Å
• α: 68.361 ± 0.004°
• β: 72.03 ± 0.004°
• γ: 64.875 ± 0.004°
• Cell volume: 2178.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No