Information card for entry 4327165

Structure parameters

• Chemical name: <i>bis</i>{η^5^-Pentamethylcyclopentadienyl- (μ-pyridine-2-thiolate-κ^2^ N,S)-ruthenium (III)} tetraphenylborate
• Formula: C39 H39 B N Ru S
• Calculated formula: C39 H39 B N Ru S
• Title of publication: Facile O-H Bond Activation in Alcohols by [Cp*RuCl(iPr2PSX)] (X = Pyridyl, Quinolyl): a Route to Ruthenium(IV) Hydrido(alkoxo) Derivatives
• Authors of publication: Manuel Jiménez-Tenorio; M. Carmen Puerta; Pedro Valerga
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12399 - 12401
• a: 12.003 ± 0.002 Å
• b: 13.933 ± 0.003 Å
• c: 19.372 ± 0.004 Å
• α: 90°
• β: 96.89 ± 0.03°
• γ: 90°
• Cell volume: 3216.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No