Information card for entry 7229879

Structure parameters

• Formula: C56 H45 N3 O4 P2 Ru S
• Calculated formula: C56 H45 N3 O4 P2 Ru S
• SMILES: [Ru]12(SC(=N[N]1=C(C1C(=O)Oc3cc(OC)ccc3C2=1)C)Nc1ccccc1)([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: 13.3038 ± 0.0005 Å
• b: 13.487 ± 0.0005 Å
• c: 14.3074 ± 0.0005 Å
• α: 85.881 ± 0.003°
• β: 85.582 ± 0.003°
• γ: 69.949 ± 0.003°
• Cell volume: 2401.56 ± 0.16 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: 0.0689
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No