Information card for entry 2217088

Structure parameters

• Chemical name: Dichlorido(3,5-dimethyl-1H-pyrazole)[(3,5-dimethyl-1H-pyrazol-1-yl)(<i>o</i>-tolyl)methanone]palladium(II)
• Formula: C18 H22 Cl2 N4 O Pd
• Calculated formula: C18 H22 Cl2 N4 O Pd
• SMILES: c1(cc(C)[n]([nH]1)[Pd]([n]1c(cc(C)n1C(=O)c1ccccc1C)C)(Cl)Cl)C
• Title of publication: Dichlorido(3,5-dimethyl-1<i>H</i>-pyrazole)[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)(<i>o</i>-tolyl)methanone]palladium(II)
• Authors of publication: Nelana, Simphiwe M.; Kruger, Gert J.; Darkwa, James
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m206 - m207
• a: 15.908 ± 0.003 Å
• b: 15.479 ± 0.003 Å
• c: 16.602 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4088.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0762
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes