Information card for entry 7059529

Structure parameters

• Formula: C22 H20 N6 O2 Pt S4
• Calculated formula: C22 H20 N6 O2 Pt S4
• SMILES: [Pt]12([S]=C(SCC)N=N1=C1C(=O)Nc3ccccc13)[S]=C(SCC)N=N2=C1C(=O)Nc2ccccc12
• 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: 22.002 ± 0.005 Å
• b: 10.401 ± 0.003 Å
• c: 22.111 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5060 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No