Information card for entry 4116196

Structure parameters

• Formula: C28 H27 Cl F6 N4 O2 P2 Ru
• Calculated formula: C28 H27 Cl F6 N4 O2 P2 Ru
• SMILES: [Ru]12(Cl)([P](O)(OCC)c3ccccc3)([n]3ccccc3c3cccc[n]13)[n]1c(cccc1)c1cccc[n]21.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Atropisomer and Diastereomer Generation and Control in Ruthenium Bis(bipyridine) Phosphonite Complexes
• Authors of publication: Dusan Hesek; Guy A. Hembury; Michael G. B. Drew; Seiji Taniguchi; Yoshihisa Inoue
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 10236 - 10237
• a: 14.55 ± 0.002 Å
• b: 15.126 ± 0.004 Å
• c: 15.9844 ± 0.0016 Å
• α: 90°
• β: 111.435 ± 0.008°
• γ: 90°
• Cell volume: 3274.6 ± 1 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.13
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1967
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.286
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No