Information card for entry 7059530

Structure parameters

• Formula: C46 H46 N12 O5 S8
• Calculated formula: C46 H46 N12 O5 S8
• 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: 8.4393 ± 0.0016 Å
• b: 11.765 ± 0.002 Å
• c: 14.287 ± 0.003 Å
• α: 86.938 ± 0.003°
• β: 81.286 ± 0.003°
• γ: 74.585 ± 0.002°
• Cell volume: 1351.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1036
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No