Information card for entry 4320610

Structure parameters

• Formula: C14 H20 Cl2 N4 O4 Pd
• Calculated formula: C14 H20 Cl2 N4 O4 Pd
• SMILES: Cl[Pd](Cl)([n]1cc(ccc1)C(=O)NC)[n]1cc(ccc1)C(=O)NC.O.O
• Title of publication: Self-Assembly of Polymer and Sheet Structures from Palladium(II) Complexes by Hydrogen Bonding between Carboxamide Substituents
• Authors of publication: Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6220 - 6228
• a: 4.0558 ± 0.0003 Å
• b: 10.1814 ± 0.0008 Å
• c: 21.7453 ± 0.0014 Å
• α: 90°
• β: 93.832 ± 0.004°
• γ: 90°
• Cell volume: 895.94 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0655
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No