Information card for entry 4504611

Structure parameters

• Formula: C4 H16 Cl4 N2 O2 Pd
• Calculated formula: C4 H16 Cl4 N2 O2 Pd
• SMILES: C1[NH2+]CC[NH2+]C1.O.[Pd](Cl)(Cl)([Cl-])[Cl-].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: 8.5472 ± 0.001 Å
• b: 7.0726 ± 0.0008 Å
• c: 10.9161 ± 0.0012 Å
• α: 90°
• β: 111.502 ± 0.002°
• γ: 90°
• Cell volume: 613.96 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0189
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No