Information card for entry 7218586

Structure parameters

• Formula: C67 H55 Cl N3 Ni O3 P3 Ru S
• Calculated formula: C67 H53 Cl N3 Ni O3 P3 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: 22.4615 ± 0.0003 Å
• b: 22.8701 ± 0.0004 Å
• c: 24.3408 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12503.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.1911
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No