Information card for entry 7708569

Structure parameters

• Formula: C18 H15 Cl2 N3 O4 Ru
• Calculated formula: C18 H15 Cl2 N3 O4 Ru
• SMILES: [Ru]1(C#[O])(Cl)(Cl)(C#[O])[NH](Cc2[n]1c1ccccc1[nH]2)c1cc(ccc1)C(=O)OC
• Title of publication: Light-activated cytotoxicity of dicarbonyl Ru(ii) complexes with a benzimidazole coligand towards breast cancer
• Authors of publication: Ibrahim, Nourhan M.; Khaled, Rabaa M.; Ragheb, Mohamed A.; Radacki, Krzysztof; Farag, Ahmad M.; Mansour, Ahmed M.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 7.86247 ± 0.00009 Å
• b: 11.42684 ± 0.00013 Å
• c: 21.9614 ± 0.0002 Å
• α: 90°
• β: 92.9222 ± 0.001°
• γ: 90°
• Cell volume: 1970.52 ± 0.04 ų
• Cell temperature: 100.03 ± 0.17 K
• Ambient diffraction temperature: 100.03 ± 0.17 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No