Information card for entry 7060082

Structure parameters

• Formula: C24 H32 Cl2 N4 O3 Ru
• Calculated formula: C24 H32 Cl2 N4 O3 Ru
• SMILES: [Ru]12345(Cl)(Cl)([n]6cc(c(nc6N)N)Cc6cc(OC)c(OC)c(OC)c6)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C
• Title of publication: Encapsulation of a Ru(η6-p-cymene) complex of the antibacterial drug trimethoprim into a polydiacetylene-phospholipid assembly to enhance its in vitro anticancer and antibacterial activities
• Authors of publication: Gopalakrishnan, Durairaj; Sumithaa, Chezhiyan; Kumar, Arumugam Madan; Bhuvanesh, Nattamai S. P.; Ghorai, Suvankar; Das, Priyadip; Ganeshpandian, Mani
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 20047 - 20059
• a: 12.2293 ± 0.001 Å
• b: 15.4509 ± 0.0013 Å
• c: 15.9391 ± 0.0013 Å
• α: 67.587 ± 0.003°
• β: 70.606 ± 0.003°
• γ: 77.965 ± 0.003°
• Cell volume: 2614.6 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No