Information card for entry 2208898

Structure parameters

• Chemical name: μ-Chloro-μ-diphenylphosphido-μ-hydrido- bis[(η^6^-hexamethylbenzene)ruthenium(II)] tetrafluoroborate
• Formula: C36 H47 B Cl F4 P Ru2
• Calculated formula: C36 H47 B Cl F4 P Ru2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)[Ru]2345678([c]9([c]2([c]3([c]4([c]5([c]69C)C)C)C)C)C)[Cl][Ru]2345618([c]1([c]2([c]3([c]4([c]5([c]61C)C)C)C)C)C)[H]7.[B](F)(F)(F)[F-]
• Title of publication: μ-Chloro-μ-diphenylphosphido-μ-hydrido-bis[(η^6^-hexamethylbenzene)ruthenium(II)] tetrafluoroborate
• Authors of publication: Tschan, Mathieu Jean-Luc; Therrien, Bruno; Süss-Fink, Georg
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m954 - m956
• a: 13.5299 ± 0.0008 Å
• b: 12.8959 ± 0.0012 Å
• c: 20.6136 ± 0.0013 Å
• α: 90°
• β: 104.778 ± 0.007°
• γ: 90°
• Cell volume: 3477.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes