Information card for entry 7238063

Structure parameters

• Formula: C20 H22 Cl N3 O Ru S
• Calculated formula: C20 H22 Cl N3 O Ru S
• Title of publication: Anticancer and antimicrobial properties of novel η6-p-cymene ruthenium(ii) complexes containing a N,S-type ligand, their structural and theoretical characterization
• Authors of publication: Namiecińska, Ewelina; Sadowska, Beata; Więckowska-Szakiel, Marzena; Dołęga, Anna; Pasternak, Beata; Grazul, Magdalena; Budzisz, Elzbieta
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 66
• Pages of publication: 38629
• a: 10.6196 ± 0.0018 Å
• b: 12.7321 ± 0.0017 Å
• c: 14.8584 ± 0.0015 Å
• α: 90°
• β: 107.98 ± 0.011°
• γ: 90°
• Cell volume: 1910.9 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No