Information card for entry 4071832

Structure parameters

• Formula: C29 H30 Cl8 P Ru2
• Calculated formula: C29 H30 Cl8 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](c1ccccc1)(c1ccccc1)c1ccccc1.ClC(Cl)Cl
• 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: 19.7274 ± 0.0012 Å
• b: 9.6194 ± 0.0004 Å
• c: 20.4425 ± 0.0013 Å
• α: 90°
• β: 118.446 ± 0.008°
• γ: 90°
• Cell volume: 3410.9 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 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 all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No