Information card for entry 1545469

Structure parameters

• Formula: C9 H9 Au Cl N3
• Calculated formula: C9 H9 Au Cl N3
• SMILES: [Au](Cl)c1c[n+](nn1C)c1ccccc1
• 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: 6.5022 ± 0.0003 Å
• b: 7.7532 ± 0.0003 Å
• c: 11.0346 ± 0.0006 Å
• α: 77.138 ± 0.003°
• β: 82.169 ± 0.003°
• γ: 83.193 ± 0.002°
• Cell volume: 535.03 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No