Information card for entry 7022545

Structure parameters

• Formula: C6 H4 Au2 Cl6 N2 S2
• Calculated formula: C6 H4 Au2 Cl6 N2 S2
• SMILES: c12csc[n]1[Au](Cl)([n]1c2csc1)Cl.[Au](Cl)(Cl)(Cl)[Cl-]
• Title of publication: The influence of steric effects on intramolecular secondary bonding interactions; cytotoxicity in gold(III) bithiazole complexes.
• Authors of publication: Notash, Behrouz; Amani, Vahid; Safari, Nasser; Ostad, S. Nasser; Abedi, Anita; Dehnavi, Marzieh Zare
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 6852 - 6858
• a: 9.3995 ± 0.0013 Å
• b: 16.1739 ± 0.0017 Å
• c: 10.5602 ± 0.0012 Å
• α: 90°
• β: 97.94 ± 0.01°
• γ: 90°
• Cell volume: 1590 ± 0.3 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: 0.0329
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No