Information card for entry 4347229

Structure parameters

• Formula: C67 H50 Cl2 N12 O8 Os2
• Calculated formula: C67 H50 Cl2 N12 O8 Os2
• SMILES: c1(ccccc1)C.[Os]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1cccc[n]31)[n]1ccn3[Os]45(n6c7c8c9c%10c(c7[n]2c6c13)cccc%10ccc9ccc8)([n]1c(cccc1)c1[n]4cccc1)[n]1ccccc1c1[n]5cccc1.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: 11.808 ± 0.0004 Å
• b: 27.8673 ± 0.0009 Å
• c: 23.4456 ± 0.0008 Å
• α: 90°
• β: 101.537 ± 0.002°
• γ: 90°
• Cell volume: 7559.1 ± 0.4 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: 0.1383
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No