Information card for entry 7037299

Structure parameters

• Formula: C39 H52 N2 Ru Si
• Calculated formula: C39 H52 N2 Ru Si
• SMILES: [RuH2]1234([SiH](c5ccccc5)C)([cH]5[cH]1[cH]2[cH]3[cH]45)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: NHC carbene supported half-sandwich hydridosilyl complexes of ruthenium: the impact of supporting ligands on SiH interligand interactions.
• Authors of publication: Mai, Van Hung; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Korobkov, Ilia; Howard, Judith A. K.; Nikonov, Georgii I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 208 - 215
• a: 10.2931 ± 0.0002 Å
• b: 16.9562 ± 0.0003 Å
• c: 20.973 ± 0.0004 Å
• α: 90°
• β: 97.4911 ± 0.0011°
• γ: 90°
• Cell volume: 3629.22 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No