Information card for entry 4071732

Structure parameters

• Formula: C22 H36 Cl3 P Ru2
• Calculated formula: C22 H36 Cl3 P Ru2
• SMILES: [Ru]123456([Ru]789%10([Cl]1)(Cl)([P]2(C)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)(Cl)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C
• Title of publication: Novel Monophosphido-Bridged Diruthenium Complexes: Efficient Preparative Method and Catalytic Activity toward Reactions of Propargylic Alcohols with Aromatic Compounds
• Authors of publication: Miyake, Yoshihiro; Endo, Satoshi; Nomaguchi, Yohei; Yuki, Masahiro; Nishibayashi, Yoshiaki
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 4017
• a: 8.8726 ± 0.0004 Å
• b: 14.5203 ± 0.0007 Å
• c: 19.0631 ± 0.0007 Å
• α: 90°
• β: 96.1559 ± 0.0017°
• γ: 90°
• Cell volume: 2441.79 ± 0.18 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• 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: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No