Information card for entry 1545172

Structure parameters

• Formula: C17 H17 Ag Cl N3 O S
• Calculated formula: C17 H17 Ag Cl N3 O S
• SMILES: [Ag](Cl)c1c([n+](nn1Cc1ccccc1)C)S(=O)c1ccc(cc1)C
• Title of publication: Desulfinylation of Ag(I) Sulfinyl Mesoionic Carbenes: Preparation of C-Unsubstituted Au(I)-1,2,3-Triazole Carbene Complexes.
• Authors of publication: Frutos, María; Ortuño, Manuel A; Lledos, Agustí; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 4
• Pages of publication: 822 - 825
• a: 10.5646 ± 0.0016 Å
• b: 6.8915 ± 0.001 Å
• c: 12.256 ± 0.0017 Å
• α: 90°
• β: 95.573 ± 0.005°
• γ: 90°
• Cell volume: 888.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No