Information card for entry 4063458

Structure parameters

• Common name: BzRuClNacNac(/a-CF3)
• Formula: C28 H27 Cl3 F6 N2 Ru
• Calculated formula: C28 H27 Cl3 F6 N2 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: 7.9718 ± 0.0002 Å
• b: 10.1896 ± 0.0008 Å
• c: 18.2714 ± 0.0018 Å
• α: 91.374 ± 0.007°
• β: 95.367 ± 0.005°
• γ: 106.896 ± 0.004°
• Cell volume: 1411.84 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No