Information card for entry 4071833

Structure parameters

• Formula: C22 H41 Cl5 P Ru2
• Calculated formula: C22 H41 Cl5 P Ru2
• SMILES: [Ru]12([Cl][Ru]34567([Cl]1)([Cl]2)[c]1([cH]7[cH]6[c]5([cH]4[cH]31)C(C)C)C)(Cl)(Cl)[P](CCCC)(CCCC)CCCC
• Title of publication: Dinuclear Ruthenium Ethylene Complexes: Syntheses, Structures, and Catalytic Applications in ATRA and ATRC Reactions
• Authors of publication: Wolf, Joffrey; Thommes, Katrin; Briel, Oliver; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 17
• Pages of publication: 4464
• a: 18.0407 ± 0.0007 Å
• b: 13.7759 ± 0.0005 Å
• c: 22.9357 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5700.1 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1179
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No