Information card for entry 2014172

Structure parameters

• Chemical name: bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)]
• Formula: C16 H40 Cl6 N2 Pd2
• Calculated formula: C16 H40 Cl6 N2 Pd2
• SMILES: [N+](CC)(CC)(CC)CC.[Pd]1([Cl][Pd]([Cl]1)(Cl)Cl)(Cl)Cl.[N+](CC)(CC)(CC)CC
• Title of publication: Two phases of bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)]
• Authors of publication: Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Němec, Ivan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m426 - m430
• a: 8.7249 ± 0.0012 Å
• b: 12.238 ± 0.003 Å
• c: 13.062 ± 0.002 Å
• α: 90°
• β: 91.973 ± 0.017°
• γ: 90°
• Cell volume: 1393.9 ± 0.4 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 230 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No