Information card for entry 4318556

Structure parameters

• Formula: C32 H22 Cl2 N2 O4 Pd
• Calculated formula: C32 H22 Cl2 N2 O4 Pd
• SMILES: [Pd]([n]1c(cc(c2c1cccc2)C(=O)O)c1ccccc1)([n]1c(cc(c2c1cccc2)C(=O)O)c1ccccc1)(Cl)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: 8.145 ± 0.002 Å
• b: 9.422 ± 0.0019 Å
• c: 10.092 ± 0.002 Å
• α: 65.601 ± 0.0016°
• β: 75.142 ± 0.002°
• γ: 78.015 ± 0.003°
• Cell volume: 677.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.6915 Å
• Diffraction radiation type: X-rays
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No