Information card for entry 2007251

Structure parameters

• Chemical name: Bis[3-(2-pyridyl)pyrazolato]palladium(II)
• Formula: C16 H12 N6 Pd
• Calculated formula: C16 H12 N6 Pd
• SMILES: [Pd]12(n3c(ccn3)c3cccc[n]13)n1c(ccn1)c1cccc[n]21
• 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: 11.752 ± 0.003 Å
• b: 5.1373 ± 0.0008 Å
• c: 12.288 ± 0.002 Å
• α: 90°
• β: 104.62 ± 0.02°
• γ: 90°
• Cell volume: 717.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0216
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for all reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0495
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No