Information card for entry 4347228

Structure parameters

• Formula: C60 H42 Cl2 N12 O8 Ru2
• Calculated formula: C60 H42 Cl2 N12 O8 Ru2
• SMILES: [Ru]123([n]4ccccc4c4[n]1cccc4)([n]1c4n([Ru]56([n]7ccccc7c7[n]5cccc7)(n5c4[n]2c2c4cccc7ccc8cccc(c8c47)c52)[n]2ccccc2c2cccc[n]62)cc1)[n]1ccccc1c1[n]3cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Homo- and Heterobimetallic Ruthenium(II) and Osmium(II) Complexes Based on a Pyrene-Biimidazolate Spacer as Efficient DNA-Binding Probes in the Near-Infrared Domain.
• Authors of publication: Mardanya, Sourav; Karmakar, Srikanta; Mondal, Debiprasad; Baitalik, Sujoy
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 3475 - 3489
• a: 11.7951 ± 0.0006 Å
• b: 27.9283 ± 0.0013 Å
• c: 23.3331 ± 0.0012 Å
• α: 90°
• β: 100.952 ± 0.003°
• γ: 90°
• Cell volume: 7546.3 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.1446
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2121
• Weighted residual factors for all reflections included in the refinement: 0.2363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No