Information card for entry 7713148

Structure parameters

• Formula: C27 H20 Cl Cu N6 O4 S
• Calculated formula: C27 H20 Cl Cu N6 O4 S
• Title of publication: Mixed Ligand Copper(II)-Diimine Complexes of 2-Formylpyridine-N4-Phenylthiosemicarbazone: Diimine Co-ligands Tune the in Vitro Nanomolar Cytotoxicity
• Authors of publication: Kartikeyan, Radhakrishnan; Murugan, Dhanashree; Ajaykamal, Tamilarasan; Varadhan, Manikandan; Rangasamy, Loganathan; Velusamy, Marappan; Palaniandavar, Mallayan; Venugopal, Rajendiran
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 14.655 ± 0.002 Å
• b: 27.476 ± 0.004 Å
• c: 13.511 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5440.3 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No