Information card for entry 7707465

Structure parameters

• Formula: C14 H9 Cl N4 O Pd
• Calculated formula: C14 H9 Cl N4 O Pd
• SMILES: [Pd]12(Cl)[n]3cccc4cccc(N1C(=O)c1[n]2ccnc1)c34
• 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: 8.8485 ± 0.0006 Å
• b: 10.7306 ± 0.0008 Å
• c: 15.2015 ± 0.0011 Å
• α: 88.126 ± 0.003°
• β: 74.988 ± 0.003°
• γ: 69.294 ± 0.003°
• Cell volume: 1301.3 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.05 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No