Information card for entry 4071829

Structure parameters

• Formula: C27 H47 Cl2 P Ru
• Calculated formula: C27 H47 Cl2 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P]6(C7CCCC6CCC7)CC(C)C)[c]6([cH]5[c]4([cH]3[c]2([cH]16)C(C)C)C(C)C)C(C)C
• 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: 16.7222 ± 0.0003 Å
• b: 14.4243 ± 0.0004 Å
• c: 22.8272 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5506.1 ± 0.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No