Information card for entry 7227224

Structure parameters

• Formula: C40 H36 B Cl F4 N4 Ru
• Calculated formula: C40 H36 B Cl F4 N4 Ru
• SMILES: [cH]12[cH]3[c]4([cH]5[cH]6[c]1(C)[Ru]123456(Cl)[n]2c(cccc2)c2[n]1c(c1ccc(N(c3ccccc3)c3ccccc3)cc1)n1c2cccc1)C(C)C.[B](F)(F)(F)[F-]
• Title of publication: Synthesis, Structures, and DNA and Protein Binding of Ruthenium(II)-p-Cymene Complexes of Substituted Pyridylimidazo[1,5-a]pyridine: Enhanced Cytotoxicity of Complexes of Ligands Appended with Carbazole Moiety
• Authors of publication: Khamrang, Themmila; Kartikeyan, Radhakrishnan; Velusamy, Marappan; Rajendiran, Venugopal; R, Dhivya; Perumalsamy, Balaji; M. A., Akbarsha; Palaniandavar, Mallayan
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.4248 ± 0.0003 Å
• b: 11.9615 ± 0.0004 Å
• c: 24.8642 ± 0.0006 Å
• α: 90°
• β: 97.198 ± 0.002°
• γ: 90°
• Cell volume: 3666.18 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No