Information card for entry 7060938

Structure parameters

• Formula: C8 H9 Au2 Cl3 N4 S
• Calculated formula: C8 H9 Au2 Cl3 N4 S
• SMILES: [Au]12([n]3c(C(=[N]2N=C(S1)N)C)cccc3)Cl.[Au](Cl)[Cl-]
• Title of publication: Synthesis, structures, and DFT analysis of gold complexes containing a thiosemicarbazone ligand
• Authors of publication: Mageed, Ahmed Hassoon; Al-Ameed, Karrar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 39
• Pages of publication: 18433 - 18442
• a: 7.0766 ± 0.0002 Å
• b: 12.4355 ± 0.0003 Å
• c: 8.0835 ± 0.0004 Å
• α: 90°
• β: 90.355 ± 0.004°
• γ: 90°
• Cell volume: 711.34 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No