Information card for entry 2240284

Structure parameters

• Chemical name: Azido{bis[2-(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)ethyl]amine-\ κ<i>N</i>}palladium azide monohydrate
• Formula: C14 H25 N11 O Pd
• Calculated formula: C14 H25 N11 O Pd
• SMILES: [Pd]12([n]3n(c(cc3C)C)CC[NH]1CCn1[n]2c(cc1C)C)N=N#N.[N-]=N#N.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: 8.132 ± 0.003 Å
• b: 22.851 ± 0.005 Å
• c: 11.372 ± 0.003 Å
• α: 90°
• β: 109.03 ± 0.02°
• γ: 90°
• Cell volume: 1997.7 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 1 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: 0.0425
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes