Information card for entry 7022233

Structure parameters

• Formula: C12 H12 Cl2 N2 O6 Pd
• Calculated formula: C12 H12 Cl2 N2 O6 Pd
• SMILES: [Pd]1([n]2c(c3[n]1cc(C(=O)O)cc3)ccc(c2)C(=O)O)(Cl)Cl.O.O
• Title of publication: Synthesis, characterization, interaction with DNA and cytotoxicity of Pd(II) and Pt(II) complexes containing pyridine carboxylic acid ligands.
• Authors of publication: Sun, Ya-guang; Sun, Di; Yu, Wan; Zhu, Ming-chang; Ding, Fu; Liu, Yi-nan; Gao, En-jun; Wang, Shu-ju; Xiong, Gang; Dragutan, Ileana; Dragutan, Valerian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 3957 - 3967
• a: 16.78 ± 0.003 Å
• b: 13.895 ± 0.003 Å
• c: 13.596 ± 0.003 Å
• α: 90°
• β: 107.59 ± 0.03°
• γ: 90°
• Cell volume: 3021.8 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.0581
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No