Information card for entry 4315758

Structure parameters

• Formula: C21 H47 F3 N O3 P3 Ru S
• Calculated formula: C21 H47 F3 N O3 P3 Ru S
• SMILES: [RuH]12([P](C=C[N]2(C)CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)([P](C)(C)C)OS(=O)(=O)C(F)(F)F
• Title of publication: Ruthenium Complexes with Cooperative PNP-Pincer Amine, Amido, Imine, and Enamido Ligands: Facile Ligand Backbone Functionalization Processes
• Authors of publication: Anja Friedrich; Markus Drees; Martina Käss; Eberhardt Herdtweck; Sven Schneider
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5482 - 5494
• a: 10.2224 ± 0.0005 Å
• b: 19.1971 ± 0.001 Å
• c: 15.5142 ± 0.0008 Å
• α: 90°
• β: 103.351 ± 0.002°
• γ: 90°
• Cell volume: 2962.2 ± 0.3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 8
• 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: 0.0209
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No