Information card for entry 7044722

Structure parameters

• Formula: C75 H56 Cl4 N14 O16 Ru2
• Calculated formula: C75 H56 Cl4 N14 O16 Ru2
• SMILES: [Ru]123([n]4c(c5[n]1cccc5)cccc4)([n]1c([nH]c4c5c6c7c(cccc7c14)c1[n]4[Ru]78([n]9c(c%10[n]7cccc%10)cccc9)([n]7ccccc7c7[n]8cccc7)[n]7c(c4[nH]c1c6ccc5)cccc7)c1[n]2cccc1)[n]1c(c2[n]3cccc2)cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].c1c(cccc1)C
• Title of publication: Bimetallic Ru(II) and Os(II) complexes based on pyrene-bisimidazole spacer: synthesis, photophysics, electrochemistry and multisignalling DNA binding studies in the near infrared region
• Authors of publication: Baitalik, Sujoy; Mardanya, Sourav; Mondal, Debiprasad
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 12.2111 ± 0.0005 Å
• b: 18.6407 ± 0.0006 Å
• c: 18.8598 ± 0.0008 Å
• α: 75.74 ± 0.003°
• β: 77.216 ± 0.004°
• γ: 80.547 ± 0.003°
• Cell volume: 4030.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0847
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No