Information card for entry 4318554

Structure parameters

• Formula: C16 H22 Cl2 N2 O6 Pd S2
• Calculated formula: C16 H22 Cl2 N2 O6 Pd S2
• SMILES: O=S(C)C.[Pd]([n]1cc(C(=O)O)ccc1)([n]1cc(C(=O)O)ccc1)(Cl)Cl.O=S(C)C
• 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: 4.7722 ± 0.001 Å
• b: 10.139 ± 0.002 Å
• c: 12.788 ± 0.003 Å
• α: 107.353 ± 0.01°
• β: 90.549 ± 0.01°
• γ: 96.331 ± 0.01°
• Cell volume: 586.4 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for all reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.0769
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for significantly intense reflections: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No