Information card for entry 4119338

Structure parameters

• Formula: C37 H30 B F10 O P Ru
• Calculated formula: C37 H30 B F10 O P Ru
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)CC[B]([H]5)(c5c(F)c(F)c(F)c(F)c5F)c5c(F)c(F)c(F)c(F)c5F)(C#[O])[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Bifunctional Ruthenium(II) Hydride Complexes with Pendant Strong Lewis Acid Moieties: Structure, Dynamics, and Cooperativity
• Authors of publication: Thomas G. Ostapowicz; Carina Merkens; Markus Hölscher; Jürgen Klankermayer; Walter Leitner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 2104 - 2107
• a: 15.0652 ± 0.0011 Å
• b: 9.7628 ± 0.0007 Å
• c: 22.9777 ± 0.0016 Å
• α: 90°
• β: 96.282 ± 0.001°
• γ: 90°
• Cell volume: 3359.2 ± 0.4 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: 0.0476
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No