Information card for entry 7218587

Structure parameters

• Formula: C50 H42 Cl3 N3 O2 P2 Ru S
• Calculated formula: C50 H42 Cl3 N3 O2 P2 Ru S
• 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: 14.3713 ± 0.0002 Å
• b: 16.5083 ± 0.0003 Å
• c: 19.6494 ± 0.0003 Å
• α: 90°
• β: 96.112 ± 0.001°
• γ: 90°
• Cell volume: 4635.24 ± 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: 0.0995
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No