Information card for entry 2210900

Structure parameters

• Chemical name: [(η^6^-C~6~Me~6~)~2~Ru~2~(μ~2~-Cl)(μ~2~-H)(μ~2~-PPh~2~)][BF~4~]
• Formula: C42 H52 B F4 O P Ru2 S
• Calculated formula: C42 H52 B F4 O P Ru2 S
• SMILES: c1(ccccc1)[P]1(c2ccccc2)[Ru]2345678([c]9([c]6([c]5([c]4([c]3([c]29C)C)C)C)C)C)[H][Ru]2345617([c]1([c]2([c]3([c]4([c]5([c]61C)C)C)C)C)C)[S]8c1ccc(cc1)O.[B](F)(F)(F)[F-]
• Title of publication: (μ-Diphenylphosphido-κ<i>P</i>:<i>P</i>)-μ-hydrido-(μ-4-hydroxybenzenethiolato-κ^2^<i>S</i>:<i>S</i>)bis[(η^6^-hexamethylbenzene)ruthenium(II)] tetrafluoroborate
• Authors of publication: Tschan, Mathieu Jean-Luc; Chérioux, Frédéric; Therrien, Bruno; Karmazin-Brelot, Lydia; Süss-Fink, Georg
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2916 - m2918
• a: 11.2081 ± 0.0007 Å
• b: 15.0744 ± 0.0011 Å
• c: 23.622 ± 0.0016 Å
• α: 90°
• β: 90.315 ± 0.008°
• γ: 90°
• Cell volume: 3991 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.064
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes