Information card for entry 7060327

Structure parameters

• Formula: C21 H23 Cl O4 Ru
• Calculated formula: C21 H23 Cl O4 Ru
• SMILES: [Ru]123456([O]=CC7C(Oc8c(C=7O1)cccc8)OC)(Cl)[cH]1[cH]6[c]3([cH]2[cH]5[c]41C(C)C)C
• Title of publication: Organometallic ruthenium (η6-p-cymene) complexes interfering with quorum sensing and biofilm formation: an anti-infective approach to combat multidrug-resistance in bacteria
• Authors of publication: Usman, Mohammad; Husain, Fohad Mabood; Khan, Rais Ahmad; Alharbi, Walaa; Alsalme, Ali; Al-Lohedan, Hamad A.; Tabassum, Sartaj
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 2184 - 2199
• a: 12.197 ± 0.0005 Å
• b: 8.0942 ± 0.0003 Å
• c: 19.7477 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1949.59 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0462
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No