Information card for entry 4085271

Structure parameters

• Formula: C68 H76 Cl4 F12 N4 O4 Ru2
• Calculated formula: C68 H76 Cl4 F12 N4 O4 Ru2
• Title of publication: Metathesis Catalysts with Fluorinated Unsymmetrical NHC Ligands
• Authors of publication: Masoud, Salekh M.; Mailyan, Artur K.; Dorcet, Vincent; Roisnel, Thierry; Dixneuf, Pierre H.; Bruneau, Christian; Osipov, Sergey N.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2305
• a: 9.1887 ± 0.0006 Å
• b: 42.551 ± 0.003 Å
• c: 17.8992 ± 0.0011 Å
• α: 90°
• β: 89.959 ± 0.003°
• γ: 90°
• Cell volume: 6998.4 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No