Information card for entry 4333276

Structure parameters

• Formula: C37 H43 Cl3 O2 P2 Ru
• Calculated formula: C37 H43 Cl3 O2 P2 Ru
• SMILES: [Ru]1234(Cl)([P](CO)(c5ccccc5)c5ccccc5)([P](CO)(c5ccccc5)c5ccccc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.ClCCl
• Title of publication: Synthesis of ruthenium(II) complexes containing hydroxymethylphosphines and their catalytic activities for hydrogenation of supercritical carbon dioxide.
• Authors of publication: Kayaki, Yoshihito; Shimokawatoko, Yoshiki; Ikariya, Takao
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 5791 - 5797
• a: 11.901 ± 0.006 Å
• b: 17.515 ± 0.009 Å
• c: 17.487 ± 0.008 Å
• α: 90°
• β: 94.339 ± 0.007°
• γ: 90°
• Cell volume: 3635 ± 3 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No