Information card for entry 4116193

Structure parameters

• Formula: C30 H31 Cl F6 N4 O2 P2 Ru
• Calculated formula: C30 H31 Cl F6 N4 O2 P2 Ru
• SMILES: [Ru]12(Cl)([P](c3ccccc3)(OCC)OCC)([n]3ccccc3c3cccc[n]13)[n]1ccccc1c1cccc[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: 12.793 ± 0.002 Å
• b: 13.881 ± 0.002 Å
• c: 18.919 ± 0.002 Å
• α: 90°
• β: 99.501 ± 0.008°
• γ: 90°
• Cell volume: 3313.5 ± 0.8 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: 0.0887
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No