Information card for entry 4312187

Structure parameters

• Formula: C34 H27 F12 N7 O4 P2 Ru
• Calculated formula: C34 H25 F12 N7 O4 P2 Ru
• SMILES: [Ru]123([n]4c(cc(cc4)C(=O)O)c4[n]1ccc(c4)C(=O)O)([n]1c(cccc1)c1[n]2cccc1)[n]1c(cccc1)c1[n]3cccc1.CC#N.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Efficient DNA Binding by Optically Pure Ruthenium Tris(bipyridyl) Complexes Incorporating Carboxylic Functionalities. Solution and Structural Analysis
• Authors of publication: Régis Caspar; Léna Musatkina; Alexander Tatosyan; Hani Amouri; Michel Gruselle; Carine Guyard-Duhayon; Raphaël Duval; Christine Cordier
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7986 - 7993
• a: 18.354 ± 0.003 Å
• b: 21.771 ± 0.004 Å
• c: 20.752 ± 0.005 Å
• α: 90°
• β: 110.837 ± 0.009°
• γ: 90°
• Cell volume: 7750 ± 3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1444
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections: 0.1374
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No