Information card for entry 4311801

Structure parameters

• Formula: C22 H28 Cd N8 O2 S2
• Calculated formula: C22 H28 Cd N8 O2 S2
• 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: 19.7587 ± 0.0003 Å
• b: 12.3227 ± 0.0001 Å
• c: 22.4943 ± 0.0003 Å
• α: 90°
• β: 101.619 ± 0.001°
• γ: 90°
• Cell volume: 5364.69 ± 0.12 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No