Information card for entry 4063457

Structure parameters

• Common name: BzRuCl(m-CF3)NacNac
• Formula: C27 H19 Cl F12 N2 Ru
• Calculated formula: C27 H19 Cl F12 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: 12.9439 ± 0.0013 Å
• b: 16.1117 ± 0.0018 Å
• c: 13.2348 ± 0.001 Å
• α: 90°
• β: 92.751 ± 0.007°
• γ: 90°
• Cell volume: 2756.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0642
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No