Information card for entry 2240283

Structure parameters

• Chemical name: {Bis[2-(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)ethyl]amine-κ<i>N</i>}iodidopalladium iodide hemihydrate
• Formula: C14 H24 I2 N5 O0.5 Pd
• Calculated formula: C14 H24 I2 N5 O0.5 Pd
• SMILES: [Pd]12(I)[n]3n(c(cc3C)C)CC[NH]1CCn1[n]2c(cc1C)C.[I-].O
• 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: 12.013 ± 0.004 Å
• b: 12.089 ± 0.004 Å
• c: 15.162 ± 0.005 Å
• α: 106.17 ± 0.02°
• β: 97.34 ± 0.03°
• γ: 106.79 ± 0.03°
• Cell volume: 1972.1 ± 1.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes