Information card for entry 4504607

Structure parameters

• Formula: C12 H12 Cl4 N2 Pd
• Calculated formula: C12 H12 Cl4 N2 Pd
• SMILES: c1[nH+]ccc(c1)/C=C/c1cc[nH+]cc1.Cl[Pd](Cl)([Cl-])[Cl-]
• 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: 6.9948 ± 0.0012 Å
• b: 7.0324 ± 0.0012 Å
• c: 8.2883 ± 0.0014 Å
• α: 69.202 ± 0.003°
• β: 74.361 ± 0.003°
• γ: 77.599 ± 0.003°
• Cell volume: 363.8 ± 0.11 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No