Information card for entry 7117860

Structure parameters

• Formula: C41 H41 O2 P Ru S2 Si
• Calculated formula: C41 H41 O2 P Ru S2 Si
• SMILES: [Ru]123456([S]=P(C1S(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1)([SiH](c1ccccc1)c1ccccc1)[c]1([cH]3[cH]4[c]5([cH]6[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: 11.7262 ± 0.0004 Å
• b: 12.1957 ± 0.0004 Å
• c: 13.2281 ± 0.0004 Å
• α: 87.934 ± 0.001°
• β: 75.058 ± 0.001°
• γ: 82.308 ± 0.001°
• Cell volume: 1811.33 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No