Information card for entry 2240285

Structure parameters

• Chemical name: Bis[{bis[2-(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)ethyl]amine-\ κ<i>N</i>}(thiocyanato-κ<i>N</i>)palladium] tetrakis(thiocyanato-κ<i>S</i>)palladate
• Formula: C34 H46 N16 Pd3 S6
• Calculated formula: C34 H46 N16 Pd3 S6
• Title of publication: Coordination of bis(pyrazol-1-yl)amine to palladium(II): influence of the co-ligands and counter-ions on the molecular and crystal structures
• Authors of publication: Mendoza, María de los Angeles; Bernès, Sylvain; Mendoza-Díaz, Guillermo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: 22 - 27
• a: 9.0286 ± 0.0017 Å
• b: 10.532 ± 0.002 Å
• c: 13.066 ± 0.003 Å
• α: 94.838 ± 0.014°
• β: 100.947 ± 0.012°
• γ: 103.989 ± 0.013°
• Cell volume: 1172.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 1 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: 0.0425
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes