Information card for entry 7117862

Structure parameters

• Formula: C35 H37 O2 P Ru S2 Si
• Calculated formula: C35 H37 O2 P Ru S2 Si
• SMILES: [Ru]123456([S]=P(C1S(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1)([SiH2]c1ccccc1)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C
• Title of publication: Si-H activation by means of metal ligand cooperation in a methandiide derived carbene complex
• Authors of publication: Julia Weismann; Viktoria H. Gessner
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14909
• a: 19.017 ± 0.0009 Å
• b: 8.552 ± 0.0004 Å
• c: 20.5995 ± 0.001 Å
• α: 90°
• β: 105.15 ± 0.002°
• γ: 90°
• Cell volume: 3233.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No