Information card for entry 2216284

Structure parameters

• Chemical name: [1-Benzyl-3-(2-pyridyl)-1<i>H</i>-pyrazole- κ^2^<i>N</i>^2^,<i>N</i>^3^]dichloridopalladium(II)
• Formula: C15 H13 Cl2 N3 Pd
• Calculated formula: C15 H13 Cl2 N3 Pd
• SMILES: [Pd]1([n]2c(c3ccn(Cc4ccccc4)[n]13)cccc2)(Cl)Cl
• Title of publication: [1-Benzyl-3-(2-pyridyl)-1<i>H</i>-pyrazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]dichloridopalladium(II)
• Authors of publication: Chun-Sen Liu; Xue-Song Shi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2892 - m2892
• a: 19.965 ± 0.006 Å
• b: 8.958 ± 0.003 Å
• c: 17.482 ± 0.006 Å
• α: 90°
• β: 98.356 ± 0.005°
• γ: 90°
• Cell volume: 3093.4 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes