Information card for entry 7030794

Structure parameters

• Formula: C42 H54 N4 Ni2 Si2
• Calculated formula: C42 H54 N4 Ni2 Si2
• SMILES: C1(N(C=CN1C(C)C)C(C)C)=[Ni]123[H][Si]2([Ni]21([H][Si]32(c1ccccc1)c1ccccc1)=C1N(C=CN1C(C)C)C(C)C)(c1ccccc1)c1ccccc1
• 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: 10.48 ± 0.005 Å
• b: 16.614 ± 0.007 Å
• c: 12.53 ± 0.006 Å
• α: 90°
• β: 106.519 ± 0.007°
• γ: 90°
• Cell volume: 2091.6 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No