Information card for entry 7062676

Structure parameters

• Formula: C55 H42 N2 O2 P2 Ru
• Calculated formula: C55 H42 N2 O2 P2 Ru
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(Oc3c([N]1=Nc1c2cccc1)cc(cc3)c1ccccc1)C#[O]
• Title of publication: Synthesis of Ru(ii) cyclometallated complexes via C(aryl)–S bond activation: X-ray structure, DNA/BSA protein binding and antiproliferative activity
• Authors of publication: Das, Akash; Mandal, Subrata; Mukherjee, Rimi; Naskar, Rahul; Murmu, Nabendu; Mondal, Tapan K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 37
• Pages of publication: 17359 - 17372
• a: 10.5463 ± 0.0008 Å
• b: 12.0634 ± 0.0009 Å
• c: 17.8689 ± 0.0014 Å
• α: 76.22 ± 0.002°
• β: 86.297 ± 0.002°
• γ: 86.034 ± 0.002°
• Cell volume: 2199.9 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No