Information card for entry 4077851

Structure parameters

• Formula: C15 H24 O4 Ru Si2
• Calculated formula: C15 H24 O4 Ru Si2
• SMILES: [RuH]1234([c]5([c]4([Si](C)(C)C)[c]43[c]2([c]15[Si](C)(C)C)COC4)O)(C#[O])C#[O]
• Title of publication: Trimethylsilyl-Substituted Hydroxycyclopentadienyl Ruthenium Hydrides as Benchmarks to Probe Ligand and Metal Effects on the Reactivity of Shvo Type Complexes.
• Authors of publication: Casey, Charles P.; Guan, Hairong
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2631 - 2638
• a: 11.8861 ± 0.0005 Å
• b: 15.2456 ± 0.0006 Å
• c: 21.607 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3915.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0181
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No