Information card for entry 7229881

Structure parameters

• Formula: C51 H43 N3 O4 P2 Ru S
• Calculated formula: C51 H43 N3 O4 P2 Ru S
• SMILES: [Ru]12(SC(=N[N]1=C(C1=C2c2ccc(OC)cc2OC1=O)C)NC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: An investigation on 3-acetyl-7-methoxy-coumarin Schiff bases and their Ru(ii) metallates with potent antiproliferative activity and enhanced LDH and NO release
• Authors of publication: Kalaiarasi, G.; Jeya Rajkumar, S. Rex; Dharani, S.; Małecki, J. G.; Prabhakaran, R.
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 1539
• a: 12.2016 ± 0.0007 Å
• b: 13.4519 ± 0.0007 Å
• c: 15.1541 ± 0.0009 Å
• α: 82.857 ± 0.004°
• β: 79.55 ± 0.005°
• γ: 65.934 ± 0.005°
• Cell volume: 2229.9 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2024
• Weighted residual factors for all reflections included in the refinement: 0.233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No