Information card for entry 7003063

Structure parameters

• Formula: C34 H35 F12 N7 O P2 Ru S2
• Calculated formula: C34 H33 F12 N7 O P2 Ru S2
• SMILES: [Ru]1234([n]5c([nH]c6c5cccc6)CC[S]4CC[S]3CCc3[n]1c1ccccc1[nH]3)[n]1c3c4[n]2cccc4ccc3ccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O.CC#N
• 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: 14.886 ± 0.004 Å
• b: 18.276 ± 0.008 Å
• c: 16.665 ± 0.004 Å
• α: 90°
• β: 115.44 ± 0.02°
• γ: 90°
• Cell volume: 4094 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1276
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No