Information card for entry 7051253

Structure parameters

• Formula: C43 H35 Cl4 N O3 P2 Pd
• Calculated formula: C43 H35 Cl4 N O3 P2 Pd
• SMILES: [Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)[n]1c(c(O)ccc1)C(=O)[O-].C(Cl)(Cl)Cl
• Title of publication: Coordination modes of 3-hydroxypicolinic acid: synthesis and crystal structures of palladium(II), platinum(II) and rhenium(V) complexes
• Authors of publication: Susana M. O. Quintal; Helena I. S. Nogueira; Vitor Félix; Michael G. B. Drew
• Journal of publication: New J. Chem.
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 7
• Pages of publication: 511 - 517
• a: 18.628 ± 0.019 Å
• b: 11.548 ± 0.013 Å
• c: 19.43 ± 0.02 Å
• α: 90°
• β: 93.1 ± 0.01°
• γ: 90°
• Cell volume: 4174 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No