Information card for entry 4342001

Structure parameters

• Formula: C42 H29 Cl2 N7 O9 Ru
• Calculated formula: C42 H29 Cl2 N7 O9 Ru
• SMILES: [Ru]123([n]4c([nH]c5c4c4c6c(ccc4)ccc4c6c5ccc4)c4[n]1cccc4)([n]1ccccc1c1[n]3cccc1)[n]1c(cccc1)c1[n]2cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Ruthenium(II) and Osmium(II) Mixed Chelates Based on Pyrenyl-Pyridylimidazole and 2,2'-Bipyridine Ligands as Efficient DNA Intercalators and Anion Sensors.
• Authors of publication: Mardanya, Sourav; Karmakar, Srikanta; Maity, Dinesh; Baitalik, Sujoy
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 513 - 526
• a: 10.661 ± 0.0003 Å
• b: 12.2602 ± 0.0003 Å
• c: 15.1793 ± 0.0004 Å
• α: 90.717 ± 0.001°
• β: 100.544 ± 0.001°
• γ: 90.15 ± 0.001°
• Cell volume: 1950.35 ± 0.09 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0513
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 0.776
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No