Information card for entry 4318558

Structure parameters

• Formula: C16 H18 Cl2 N2 O10 Pd
• Calculated formula: C16 H18 Cl2 N2 O10 Pd
• SMILES: [Pd](Cl)(Cl)([n]1cc(cc(c1)C(=O)O)C(=O)O)[n]1cc(cc(c1)C(=O)O)C(=O)O.CO.CO
• 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: 4.9006 ± 0.0004 Å
• b: 7.9416 ± 0.0009 Å
• c: 14.2851 ± 0.0015 Å
• α: 97.815 ± 0.006°
• β: 99.871 ± 0.006°
• γ: 100.03 ± 0.006°
• Cell volume: 531.42 ± 0.09 ų
• Cell temperature: 215 ± 2 K
• Ambient diffraction temperature: 215 ± 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: 0.0744
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No