Information card for entry 2007250

Structure parameters

• Chemical name: [3-(2-pyridyl)-1H-pyrazole]dichloropalladium(II)
• Formula: C8 H7 Cl2 N3 Pd
• Calculated formula: C8 H7 Cl2 N3 Pd
• SMILES: [Pd]1([n]2c(c3[n]1[nH]cc3)cccc2)(Cl)Cl
• Title of publication: [Pd(H<i>L</i>)Cl~2~] and [Pd<i>L</i>~2~], where H<i>L</i> is 2-(3-Pyrazolyl)pyridine
• Authors of publication: Ward, Michael D.; Fleming, James S.; Psillakis, Elefteria; Jeffery, John C.; McCleverty, Jon A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 609 - 612
• a: 7.8069 ± 0.0012 Å
• b: 15.768 ± 0.004 Å
• c: 16.398 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2018.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for all reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.0619
• Goodness-of-fit parameter for all reflections: 1.108
• Goodness-of-fit parameter for significantly intense reflections: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No