Information card for entry 4311800

Structure parameters

• Formula: C16 H14 N6 S2 Zn
• Calculated formula: C16 H14 N6 S2 Zn
• Title of publication: Versatile Chelating Behavior of Benzil Bis(thiosemicarbazone) in Zinc, Cadmium, and Nickel Complexes
• Authors of publication: Elena López-Torres; M Antonia Mendiola; César J. Pastor; Beatriz Souto Pérez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5222 - 5230
• a: 12.7945 ± 0.0002 Å
• b: 9.0831 ± 0.0002 Å
• c: 14.96 ± 0.0003 Å
• α: 90°
• β: 97.022 ± 0.001°
• γ: 90°
• Cell volume: 1725.52 ± 0.06 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No