Information card for entry 8105179

Structure parameters

• Formula: C14 H12 Cl2 N4 Pd
• Calculated formula: C14 H12 Cl2 N4 Pd
• SMILES: [Pd]1(Cl)(Cl)[n]2c(cccc2)Cn2[n]1cc(c1ccccc1)n2
• Title of publication: The crystal structure of dichlorido-(2-((4-phenyl-2H-1,2,3-triazol-2-yl)methyl)pyridine-κ2 N,N′)palladium(II), C14H12Cl2N4Pd
• Authors of publication: Si, Xiang; Yan, Qiong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 205 - 206
• a: 11.99 ± 0.003 Å
• b: 13.027 ± 0.003 Å
• c: 9.73 ± 0.002 Å
• α: 90°
• β: 92.163 ± 0.004°
• γ: 90°
• Cell volume: 1518.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No