Information card for entry 7707466

Structure parameters

• Formula: C15 H10 Cl N3 O Pd
• Calculated formula: C15 H10 Cl N3 O Pd
• SMILES: [Pd]12(Cl)N(c3cccc4ccc[n]2c34)C(=O)c2[n]1cccc2
• Title of publication: Role of π-conjugation on the coordination behaviour, substitution kinetics, DNA/BSA interactions, and <i>in vitro</i> cytotoxicity of carboxamide palladium(II) complexes.
• Authors of publication: Omondi, Reinner O.; Sibuyi, Nicole R. S.; Fadaka, Adewale O.; Meyer, Mervin; Jaganyi, Deogratius; Ojwach, Stephen O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 23
• Pages of publication: 8127 - 8143
• a: 17.9471 ± 0.0014 Å
• b: 4.5613 ± 0.0004 Å
• c: 17.8033 ± 0.0014 Å
• α: 90°
• β: 114.681 ± 0.004°
• γ: 90°
• Cell volume: 1324.28 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.05 K
• Number of distinct elements: 6
• 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: 0.0235
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No