Information card for entry 4307631

Structure parameters

• Formula: C33 H34 Cl2 F12 N4 O P2 Ru2
• Calculated formula: C33 H34 Cl2 F12 N4 O P2 Ru2
• SMILES: [Ru]123456(Cl)([cH]7[cH]5[cH]4[cH]3[c]32[c]17CCC3)[n]1ccccc1c1[n]6cc[n]2c1c1cccc[n]1[Ru]134562(Cl)[cH]2[c]71CCC[c]37[cH]4[cH]5[cH]62.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].OC
• Title of publication: Dual Triggering of DNA Binding and Fluorescence via Photoactivation of a Dinuclear Ruthenium(II) Arene Complex
• Authors of publication: Steven W. Magennis; Abraha Habtemariam; Olga Novakova; John B. Henry; Samuel Meier; Simon Parsons; Iain D. H. Oswald; Viktor Brabec; Peter J. Sadler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5059 - 5068
• a: 12.1038 ± 0.0008 Å
• b: 16.8908 ± 0.0011 Å
• c: 18.8556 ± 0.0012 Å
• α: 90°
• β: 101.196 ± 0.001°
• γ: 90°
• Cell volume: 3781.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0472
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No