Information card for entry 4318555

Structure parameters

• Formula: C12 H8 N2 O4 Pd
• Calculated formula: C12 H8 N2 O4 Pd
• SMILES: O1[Pd]2([n]3ccccc3C1=O)[n]1ccccc1C(=O)O2
• 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: 3.7077 ± 0.0002 Å
• b: 12.8197 ± 0.0005 Å
• c: 11.5267 ± 0.0006 Å
• α: 90°
• β: 91.008 ± 0.003°
• γ: 90°
• Cell volume: 547.8 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0447
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No