Information card for entry 4071828

Structure parameters

• Formula: C23 H38 Cl5 P Ru
• Calculated formula: C23 H38 Cl5 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P]6(C7CCCC6CCC7)CC(C)C)[c]6([cH]5[cH]4[c]3([cH]2[cH]16)C(C)C)C.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: 12.757 ± 0.0003 Å
• b: 15.4559 ± 0.0003 Å
• c: 13.4577 ± 0.0003 Å
• α: 90°
• β: 92.309 ± 0.002°
• γ: 90°
• Cell volume: 2651.31 ± 0.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No