Information card for entry 4350750

Structure parameters

• Formula: C46 H39 N3 O2 P2 Ru S
• Calculated formula: C46 H39 N3 O2 P2 Ru S
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Ru]12(C#[O])([N](=Cc3ccccc3O1)N=C(NC)S2)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, structure, DNA/protein binding and in vitro cytotoxicity of new ruthenium metallates
• Authors of publication: Kalaivani, P.; Prabhakaran, R.; Vaishnavi, E.; Rueffer, T.; Lang, H.; Poornima, P.; Renganathan, R.; Vijaya Padma, V.; Natarajan, K.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 4
• Pages of publication: 311
• a: 14.2779 ± 0.0005 Å
• b: 18.0273 ± 0.0006 Å
• c: 15.6331 ± 0.0006 Å
• α: 90°
• β: 103.194 ± 0.004°
• γ: 90°
• Cell volume: 3917.6 ± 0.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• 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: 0.0416
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No