Information card for entry 7030800

Structure parameters

• Formula: C36 H32 Si3
• Calculated formula: C36 H32 Si3
• SMILES: [SiH]([Si]([SiH](c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(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: 9.947 ± 0.0012 Å
• b: 10.5252 ± 0.0013 Å
• c: 16.903 ± 0.002 Å
• α: 102.664 ± 0.002°
• β: 98.563 ± 0.001°
• γ: 110.928 ± 0.002°
• Cell volume: 1561.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No