Information card for entry 4306542

Structure parameters

• Formula: C20 H22 Cl F6 N2 O3 P Ru
• Calculated formula: C20 H22 Cl F6 N2 O3 P Ru
• SMILES: [Ru]123456(Cl)([n]7cccc(O)c7c7c(O)ccc[n]17)[c]17[cH]2[cH]3[cH]4[cH]5[c]61CCC7.[P](F)(F)(F)(F)(F)[F-].CO
• Title of publication: The Contrasting Chemistry and Cancer Cell Cytotoxicity of Bipyridine and Bipyridinediol Ruthenium(II) Arene Complexes
• Authors of publication: Tijana Bugarcic; Abraha Habtemariam; Jana Stepankova; Pavla Heringova; Jana Kasparkova; Robert J. Deeth; Russell D. L. Johnstone; Alessandro Prescimone; Andrew Parkin; Simon Parsons; Viktor Brabec; Peter J. Sadler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11470 - 11486
• a: 7.9858 ± 0.001 Å
• b: 12.1538 ± 0.0015 Å
• c: 12.5825 ± 0.0016 Å
• α: 67.843 ± 0.002°
• β: 83.718 ± 0.002°
• γ: 83.549 ± 0.002°
• Cell volume: 1120.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No