Information card for entry 7062511

Structure parameters

• Formula: C31 H40 Cl2 N2 Ru
• Calculated formula: C31 H40 Cl2 N2 Ru
• Title of publication: Synthesis, crystallographic structure, theoretical analysis, molecular docking studies, electronic properties and biological activity evaluation of ruthenium-complex bearing N-heterocyclic carbene ligand
• Authors of publication: Slimani, I.; Amri, Nasser; Mukhrish, Yousef E.; Gurbuz, Nevin; Özdemir, Ismail; Ghalla, Houcine; Özdemir, Namık; Mansour, Lamjed; Hamdi, Naceur
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 24
• Pages of publication: 11708 - 11722
• a: 11.594 ± 0.0005 Å
• b: 12.6166 ± 0.0005 Å
• c: 22.3958 ± 0.0009 Å
• α: 90°
• β: 95.492 ± 0.004°
• γ: 90°
• Cell volume: 3260.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1846
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No