Information card for entry 4318557

Structure parameters

• Formula: C44 H50 Cl2 N6 O8 Pd
• Calculated formula: C44 H50 Cl2 N6 O8 Pd
• SMILES: [Pd](Cl)(Cl)([n]1c2ccccc2c(C(=O)O)cc1c1ccccc1)[n]1c2ccccc2c(C(=O)O)cc1c1ccccc1.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(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: 7.9009 ± 0.00002 Å
• b: 9.3964 ± 0.0002 Å
• c: 15.9253 ± 0.0002 Å
• α: 77.992 ± 0.001°
• β: 77.342 ± 0.001°
• γ: 82.234 ± 0.001°
• Cell volume: 1123.34 ± 0.03 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for all reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.0835
• Goodness-of-fit parameter for all reflections: 1.083
• Goodness-of-fit parameter for significantly intense reflections: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No