Information card for entry 7218585

Structure parameters

• Formula: C52 H47 Cl N4 O3 P2 Ru S
• Calculated formula: C49 H40 Cl N3 O2 P2 Ru S
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Ru]1(C#[O])([N](=C(N)S1)N=Cc1c(ccc2ccccc12)O)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl
• Title of publication: Photophysical properties and in vitro cytotoxicity studies of new Ru(ii) carbonyl complexes and mixed geometrical Ru(ii)‒Ni(ii) complex in HS-DNA/BSA protein and human lung (A549) and liver (HepG2) cells
• Authors of publication: Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Natarajan, K.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 94
• Pages of publication: 51850
• a: 14.3378 ± 0.0002 Å
• b: 16.5494 ± 0.0003 Å
• c: 19.591 ± 0.0003 Å
• α: 90°
• β: 95.898 ± 0.001°
• γ: 90°
• Cell volume: 4623.98 ± 0.13 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No