Information card for entry 7003064

Structure parameters

• Formula: C30 H28 Cl F6 N6 P Ru S2
• Calculated formula: C30 H28 Cl F6 N6 P Ru S2
• SMILES: [Ru]123([S](CC[S]1CCc1ncccc1)CCc1[n]3cccc1)(Cl)[n]1cccc3c1c1[n]2cccc1c1nccnc31.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Mixed ligand ruthenium(ii) complexes of bis(pyrid-2-yl)-/bis(benzimidazol-2-yl)-dithioether and diimines: Study of non-covalent DNA binding and cytotoxicity
• Authors of publication: Rajendiran, Venugopal; Murali, Mariappan; Suresh, Eringathodi; Sinha, Sarika; Somasundaram, Kumaravel; Palaniandavar, Mallayan
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 1
• Pages of publication: 148
• a: 14.957 ± 0.0013 Å
• b: 9.0588 ± 0.0008 Å
• c: 23.1298 ± 0.0019 Å
• α: 90°
• β: 100.962 ± 0.002°
• γ: 90°
• Cell volume: 3076.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0973
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No