Information card for entry 7022151

Structure parameters

• Formula: C16 H14 Au I3 N2 S4
• Calculated formula: C16 H14 Au I3 N2 S4
• SMILES: [Au]([S]=C1N(c2c(cccc2)S1)C)[S]=C1N(c2c(cccc2)S1)C.I[I-]I
• Title of publication: Gold oxidative dissolution by (thioamide)-I2 adducts.
• Authors of publication: Isaia, Francesco; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Demartin, Francesco; Garau, Alessandra; Lippolis, Vito
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 2
• Pages of publication: 492 - 498
• a: 7.315 ± 0.001 Å
• b: 18.345 ± 0.002 Å
• c: 9.067 ± 0.001 Å
• α: 90°
• β: 109.02 ± 0.01°
• γ: 90°
• Cell volume: 1150.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No