Information card for entry 7022152

Structure parameters

• Formula: C16 H18 Au I7 N4 S2
• Calculated formula: C16 H18 Au I7 N4 S2
• SMILES: [Au](I)(I)(I)[I-].c1(SC)[nH]c2c(cccc2)[nH+]1.I[I-]I.c12c(cccc1)[nH+]c([nH]2)SC
• 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: 12.715 ± 0.0011 Å
• b: 9.2572 ± 0.0008 Å
• c: 13.6661 ± 0.0012 Å
• α: 90°
• β: 107.36 ± 0.01°
• γ: 90°
• Cell volume: 1535.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No