Information card for entry 4063459

Structure parameters

• Common name: NacNacBzCF3RuNacNac
• Formula: C49 H55 F3 N4 Ru
• Calculated formula: C49 H55 F3 N4 Ru
• Title of publication: Rational Design of Highly Cytotoxic η6-Arene β-Diketiminato−Ruthenium Complexes
• Authors of publication: Phillips, Andrew D.; Zava, Olivier; Scopelitti, Rosario; Nazarov, Alexey A.; Dyson, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 2
• Pages of publication: 417
• a: 11.6301 ± 0.0019 Å
• b: 24.343 ± 0.004 Å
• c: 15.567 ± 0.003 Å
• α: 90°
• β: 102.348 ± 0.014°
• γ: 90°
• Cell volume: 4305.2 ± 1.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• 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: 0.0945
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.326
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No