Information card for entry 4318261

Structure parameters

• Formula: C18 H24 Cl2 N2 Pd
• Calculated formula: C18 H24 Cl2 N2 Pd
• SMILES: [Pd]1([n]2c(c3[n]1ccc(c3)C(C)(C)C)cc(cc2)C(C)(C)C)(Cl)Cl
• Title of publication: Molecular Triangle of Palladium(II) and Its Anion Binding Properties
• Authors of publication: Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3967 - 3974
• a: 7.4164 ± 0.0007 Å
• b: 19.215 ± 0.002 Å
• c: 13.0162 ± 0.0014 Å
• α: 90°
• β: 96.632 ± 0.006°
• γ: 90°
• Cell volume: 1842.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.1766
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 0.787
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No