Information card for entry 7044869

Structure parameters

• Formula: C24 H27 Cl O3 Ru
• Calculated formula: C24 H27 Cl O3 Ru
• SMILES: [Ru]123456(Cl)([O]=C(O1)[C@@H](c1cc7c(cc1)cc(OC)cc7)C)[c]1([cH]6[cH]2[c]3([cH]4[cH]51)C)C(C)C
• Title of publication: Ruthenium(ii) arene NSAID complexes: inhibition of cyclooxygenase and antiproliferative activity against cancer cell lines.
• Authors of publication: Mandal, Poulami; Kundu, Bidyut Kumar; Vyas, Komal; Sabu, Vidya; Helen, A.; Dhankhar, Sandeep Singh; Nagaraja, C. M.; Bhattacherjee, Debojit; Bhabak, Krishna Pada; Mukhopadhyay, Suman
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 2
• Pages of publication: 517 - 527
• a: 9.328 ± 0.005 Å
• b: 11.49 ± 0.006 Å
• c: 21.33 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2286 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No