Information card for entry 7059527

Structure parameters

• Formula: C22 H20 N6 O2 Pd S4
• Calculated formula: C22 H20 N6 O2 Pd 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: 8.555 ± 0.002 Å
• b: 21.607 ± 0.006 Å
• c: 13.272 ± 0.004 Å
• α: 90°
• β: 98.413 ± 0.004°
• γ: 90°
• Cell volume: 2426.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No