Information card for entry 4079654

Structure parameters

• Formula: C45 H38 Cl N3 O2 P2 Ru S
• Calculated formula: C45 H38 Cl N3 O2 P2 Ru S
• SMILES: C1(N)=[N](N=Cc2ccccc2O)[Ru](C#[O])([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(S1)Cl
• Title of publication: Versatile Coordination Behavior of Salicylaldehydethiosemicarbazone in Ruthenium(II) Carbonyl Complexes: Synthesis, Spectral, X-ray, Electrochemistry, DNA Binding, Cytotoxicity, and Cellular Uptake Studies
• Authors of publication: Kalaivani, P.; Prabhakaran, R.; Poornima, P.; Dallemer, F.; Vijayalakshmi, K.; Padma, V. Vijaya; Natarajan, K.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8323
• a: 22.7034 ± 0.0003 Å
• b: 23.4596 ± 0.0005 Å
• c: 20.7205 ± 0.0005 Å
• α: 90°
• β: 121.283 ± 0.001°
• γ: 90°
• Cell volume: 9431.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No