Information card for entry 1514527

Structure parameters

• Formula: C35 H61 B11 Br6 F P Ru Si
• Calculated formula: C35 H61 B11 Br6 F P Ru Si
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ru]12345([H][SiH](c2c(cc(cc2C)C)C)[H]1)[P](C(C)C)(C(C)C)C(C)C)C)C)C)C.c1(ccccc1)F.[CH]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]345[B]45%11([B]%11%102([B]291([B]168([B]734([B]5%1121Br)Br)Br)Br)Br)Br
• Title of publication: Structural and mechanistic investigation of a cationic hydrogen-substituted ruthenium silylene catalyst for alkene hydrosilation
• Authors of publication: Fasulo, Meg E.; Lipke, Mark C.; Tilley, T. Don
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 3882
• a: 11.8239 ± 0.0004 Å
• b: 14.7954 ± 0.0005 Å
• c: 15.4075 ± 0.0005 Å
• α: 99.322 ± 0.001°
• β: 110.839 ± 0.001°
• γ: 91.577 ± 0.001°
• Cell volume: 2475.17 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No