Information card for entry 2018639

Structure parameters

• Chemical name: Dichlorido{2-[(3,5-diphenyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine-κ<i>N</i>}palladium(II)
• Formula: C21 H17 Cl2 N3 Pd
• Calculated formula: C21 H17 Cl2 N3 Pd
• SMILES: [Pd]1(Cl)(Cl)[n]2ccccc2Cn2[n]1c(cc2c1ccccc1)c1ccccc1
• Title of publication: Dichlorido{2-[(3,5-diphenyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine-κ<i>N</i>}palladium(II)
• Authors of publication: Spencer, Lara C.; Guzei, Ilia A.; Segapelo, Tebogo V.; Darkwa, James
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m317 - m319
• a: 12.1226 ± 0.001 Å
• b: 14.6299 ± 0.0012 Å
• c: 12.258 ± 0.001 Å
• α: 90°
• β: 116.862 ± 0.001°
• γ: 90°
• Cell volume: 1939.4 ± 0.3 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 5
• 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: 0.0188
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes