Information card for entry 7227225

Structure parameters

• Formula: C40 H34 B Cl F4 N4 O Ru S0
• Calculated formula: C40 H34 B Cl F4 N4 O Ru
• SMILES: c1([n]2[Ru]34567([cH]8[c]3([cH]7[cH]6[c]5([cH]48)C(C)C)C)(Cl)[n]3c(c2c2n1cccc2)cccc3)c1ccc(cc1)n1c2c(c3c1cccc3)cccc2.[B](F)(F)(F)[F-].O
• 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: 12.0308 ± 0.0005 Å
• b: 11.1279 ± 0.0004 Å
• c: 27.6398 ± 0.0009 Å
• α: 90°
• β: 102.338 ± 0.004°
• γ: 90°
• Cell volume: 3614.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• 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: 0.098
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No