Information card for entry 4504612

Structure parameters

• Formula: C12 H16 Cl4 N2 O6 Pd
• Calculated formula: C12 H16 Cl4 N2 O6 Pd
• SMILES: c1cc(cc[nH+]1)C(=O)O.O.Cl[Pd](Cl)([Cl-])[Cl-].c1cc(cc[nH+]1)C(=O)O.O
• Title of publication: Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks
• Authors of publication: Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 411
• a: 6.9942 ± 0.0017 Å
• b: 8.5052 ± 0.0017 Å
• c: 8.9252 ± 0.0012 Å
• α: 85.754 ± 0.018°
• β: 73.059 ± 0.023°
• γ: 66.135 ± 0.014°
• Cell volume: 463.89 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0247
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No