Information card for entry 4318553

Structure parameters

• Formula: C12 H10 Cl2 N2 O4 Pd
• Calculated formula: C12 H10 Cl2 N2 O4 Pd
• SMILES: c1c(C(=O)O)ccc[n]1[Pd](Cl)([n]1cc(C(=O)O)ccc1)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: 3.9234 ± 0.0001 Å
• b: 13.5352 ± 0.0006 Å
• c: 13.418 ± 0.0006 Å
• α: 90°
• β: 96.052 ± 0.001°
• γ: 90°
• Cell volume: 708.58 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for all reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.069
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No