Information card for entry 4318552

Structure parameters

• Formula: C12 H10 Cl2 N2 O4 Pd
• Calculated formula: C12 H10 Cl2 N2 O4 Pd
• SMILES: c1cc(C(=O)O)cc[n]1[Pd]([n]1ccc(C(=O)O)cc1)(Cl)Cl
• Title of publication: Self-Assembly of Polymer and Sheet Structures in Palladium(II) Complexes Containing Carboxylic Acid Substituents
• Authors of publication: Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt; Kenneth W. Muir
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5174 - 5186
• a: 3.9554 ± 0.0002 Å
• b: 7.483 ± 0.0004 Å
• c: 12.5456 ± 0.0007 Å
• α: 75.625 ± 0.003°
• β: 88.898 ± 0.003°
• γ: 80.313 ± 0.003°
• Cell volume: 354.47 ± 0.03 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0271
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for all reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.0582
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No