Information card for entry 7125237

Structure parameters

• Formula: C16 H16 O4 S4
• Calculated formula: C16 H16 O4 S4
• Title of publication: Redox interactions of Au(iii) with carboxylated dithiafulvenes and tetrathiafulvalene analogues in polar organic media.
• Authors of publication: Adows, Hadeel; Zhao, Yuming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 89
• Pages of publication: 13101 - 13104
• a: 7.6541 ± 0.0006 Å
• b: 9.3183 ± 0.0004 Å
• c: 12.9177 ± 0.0009 Å
• α: 106.268 ± 0.005°
• β: 100.626 ± 0.006°
• γ: 91.743 ± 0.005°
• Cell volume: 865.98 ± 0.1 ų
• Cell temperature: 172.9 ± 0.2 K
• Ambient diffraction temperature: 172.9 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No