Information card for entry 2210890

Structure parameters

• Chemical name: Chloro{bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine-κ^3^N,N',N''}palladium(II) chloride dihydrate
• Formula: C14 H27 Cl2 N5 O2 Pd
• Calculated formula: C14 H27 Cl2 N5 O2 Pd
• SMILES: [Pd]12(Cl)[n]3[n](c(cc3C)C)CC[NH]1CC[n]1[n]2c(cc1C)C.[Cl-].O.O
• Title of publication: {Bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}chloropalladium(II) chloride dihydrate
• Authors of publication: Mendoza, María de los Angeles; Bernès, Sylvain; Mendoza-Díaz, Guillermo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2934 - m2936
• a: 8.0061 ± 0.001 Å
• b: 22.639 ± 0.0019 Å
• c: 11.8202 ± 0.0008 Å
• α: 90°
• β: 109.607 ± 0.007°
• γ: 90°
• Cell volume: 2018.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes