Information card for entry 7056516

Structure parameters

• Formula: C24 H25 Cl O4 Ru
• Calculated formula: C24 H25 Cl O4 Ru
• SMILES: [Ru]123456([O]=C7C(=C(/C=C(/OC)C)O1)C(=O)c1ccccc71)(Cl)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C
• Title of publication: Synthesis and Analysis of the Anticancer Activity of Ru(II) Complexes Incorporating 2-Hydroxymethylidene-indene-1,3-diones Ligands
• Authors of publication: Tsovaltzi, E.; Malamidou-Xenikaki, E.; Dalezis, P.; Hatzidimitriou, Antonios; Trafalis, D.; Lazarides, Theodore; Sarli, Vasiliki
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 18
• Pages of publication: 10438 - 10446
• a: 7.7108 ± 0.0003 Å
• b: 12.7742 ± 0.0004 Å
• c: 12.7925 ± 0.0003 Å
• α: 64.6825 ± 0.0015°
• β: 74.5158 ± 0.0017°
• γ: 83.476 ± 0.002°
• Cell volume: 1097.68 ± 0.06 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for all reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No