Information card for entry 4504602

Structure parameters

• Formula: C12 H14 Cl4 N4 O2 Pt
• Calculated formula: C12 H14 Cl4 N4 O2 Pt
• SMILES: c1c(C(=O)N)ccc[nH+]1.Cl[Pt](Cl)([Cl-])[Cl-].c1ccc(c[nH+]1)C(=O)N
• 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: 6.9952 ± 0.0031 Å
• b: 7.3278 ± 0.0018 Å
• c: 8.6578 ± 0.0051 Å
• α: 71.87 ± 0.0459°
• β: 88.967 ± 0.0413°
• γ: 87.604 ± 0.0444°
• Cell volume: 421.4 ± 0.3 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: 0.0202
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No