Information card for entry 7004372

Structure parameters

• Common name: (cyclopentadienyl)(triphenylphosphine)(dimethylchlorosilyl) ruthenium dihydride
• Chemical name: (cyclopentadienyl)(triphenylphosphine)(dimethylchlorosilyl) ruthenium dihydride
• Formula: C25 H28 Cl P Ru Si
• Calculated formula: C25 H28 Cl P Ru Si
• SMILES: [RuH2]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([Si](Cl)(C)C)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Unexpected effect of the ring on the extent of Si⋯H interligand interactions in half-sandwich silyl hydrides of ruthenium
• Authors of publication: Gutsulyak, Dmitry V.; Osipov, Alexandr L.; Kuzmina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 47
• Pages of publication: 6843 - 6850
• a: 8.7357 ± 0.0002 Å
• b: 11.5961 ± 0.0002 Å
• c: 11.9794 ± 0.0002 Å
• α: 73.757 ± 0.001°
• β: 86.005 ± 0.001°
• γ: 82.276 ± 0.001°
• Cell volume: 1153.85 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No