Information card for entry 2211253

Structure parameters

• Chemical name: Dichlorobis(2,5-diphenyl-1,3,4-thiadiazole-κN^3^)palladium
• Formula: C28 H20 Cl2 N4 Pd S2
• Calculated formula: C28 H20 Cl2 N4 Pd S2
• SMILES: c1([n](nc(s1)c1ccccc1)[Pd]([n]1c(sc(n1)c1ccccc1)c1ccccc1)(Cl)Cl)c1ccccc1
• Title of publication: Dichlorobis(2,5-diphenyl-1,3,4-thiadiazole-κ<i>N</i>^3^)palladium(II)
• Authors of publication: Steel, Peter J.; Richardson, Chris
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3210 - m3212
• a: 10.228 ± 0.002 Å
• b: 10.599 ± 0.003 Å
• c: 14.095 ± 0.003 Å
• α: 86.469 ± 0.005°
• β: 86.684 ± 0.007°
• γ: 61.745 ± 0.004°
• Cell volume: 1342.7 ± 0.5 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes