Information card for entry 7059528

Structure parameters

• Formula: C22 H20 N6 Ni O2 S4
• Calculated formula: C22 H20 N6 Ni O2 S4
• Title of publication: Synthesis, characterization and bioactivity studies of new dithiocarbazate complexes
• Authors of publication: Yekke-ghasemi, Zahra; Ramezani, Mohammad; Mague, Joel T.; Takjoo, Reza
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 8878 - 8889
• a: 16.812 ± 0.002 Å
• b: 15.539 ± 0.002 Å
• c: 10.2873 ± 0.0014 Å
• α: 90°
• β: 112.258 ± 0.002°
• γ: 90°
• Cell volume: 2487.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No