Information card for entry 2234538

Structure parameters

• Common name: Bis(2-acetylpyridine-(4-phenylthiosemicarbazonate)cadmiun(II)
• Chemical name: Bis{4-phenyl-1-[1-(pyridin-2-yl-κ<i>N</i>)ethylidene]thiosemicarbazidato- κ^2^<i>N</i>^1^,<i>S</i>}cadmium
• Formula: C28 H26 Cd N8 S2
• Calculated formula: C28 H26 Cd N8 S2
• SMILES: [Cd]1234(SC(Nc5ccccc5)=N[N]1=C(c1cccc[n]21)C)SC(=N[N]3=C(c1cccc[n]41)C)Nc1ccccc1
• Title of publication: Bis{4-phenyl-1-[1-(pyridin-2-yl-κ<i>N</i>)ethylidene]thiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>}cadmium
• Authors of publication: de Fonseca, Alexandra; Gervini, Vanessa Carratu; Bresolin, Leandro; Locatelli, Aline; de Oliveira, Adriano Bof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m635 - m636
• a: 9.8452 ± 0.0002 Å
• b: 13.0116 ± 0.0003 Å
• c: 13.1736 ± 0.0005 Å
• α: 116.495 ± 0.001°
• β: 105.757 ± 0.001°
• γ: 96.122 ± 0.001°
• Cell volume: 1401.81 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes