Information card for entry 2018703

Structure parameters

• Chemical name: Bis(5-chloro-8-hydroxyquinolinium) tetrachloridopalladate(II)
• Formula: C18 H14 Cl6 N2 O2 Pd
• Calculated formula: C18 H14 Cl6 N2 O2 Pd
• SMILES: [Pd](Cl)(Cl)([Cl-])[Cl-].Clc1c2ccc[nH+]c2c(cc1)O.Clc1c2ccc[nH+]c2c(cc1)O
• Title of publication: Low-dimensional compounds containing bioactive ligands. IV. Unusual ionic forms of 5-chloroquinolin-8-ol
• Authors of publication: Vranec, Peter; Potočňák, Ivan; Repovský, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m370 - m376
• a: 7.2339 ± 0.0002 Å
• b: 21.7998 ± 0.0008 Å
• c: 13.0306 ± 0.0004 Å
• α: 90°
• β: 94.903 ± 0.003°
• γ: 90°
• Cell volume: 2047.37 ± 0.11 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0418
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes