Information card for entry 7030793

Structure parameters

• Formula: C36 H48 N4 Ni Si
• Calculated formula: C36 H48 N4 Ni Si
• SMILES: [NiH]([Si](c1ccccc1)(c1ccccc1)c1ccccc1)(=C1N(C=CN1C(C)C)C(C)C)=C1N(C=CN1C(C)C)C(C)C
• Title of publication: Si-H bond activation at {(NHC)2Ni(0)} leading to hydrido silyl and bis(silyl) complexes: a versatile tool for catalytic Si-H/D exchange, acceptorless dehydrogenative coupling of hydrosilanes, and hydrogenation of disilanes to hydrosilanes.
• Authors of publication: Schmidt, David; Zell, Thomas; Schaub, Thomas; Radius, Udo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 28
• Pages of publication: 10816 - 10827
• a: 11.8454 ± 0.0008 Å
• b: 18.642 ± 0.0013 Å
• c: 16.1698 ± 0.0014 Å
• α: 90°
• β: 103.264 ± 0.003°
• γ: 90°
• Cell volume: 3475.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No