Information card for entry 7126369

Structure parameters

• Formula: C14 H18 Au Br N2 O S
• Calculated formula: C14 H18 Au Br N2 O S
• Title of publication: Synthesis and properties of an Au₆ cluster supported by a mixed N-heterocyclic carbene-thiolate ligand.
• Authors of publication: Salorinne, Kirsi; Man, Renee W. Y.; Lummis, Paul A.; Hazer, Maryam Sabooni Asre; Malola, Sami; Yim, Jacky C.-H.; Veinot, Alex J.; Zhou, Wenxia; Häkkinen, Hannu; Nambo, Masakazu; Crudden, Cathleen M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 45
• Pages of publication: 6102 - 6105
• a: 9.2685 ± 0.0003 Å
• b: 9.2937 ± 0.0003 Å
• c: 10.4915 ± 0.0003 Å
• α: 66.938 ± 0.001°
• β: 78.837 ± 0.001°
• γ: 79.362 ± 0.001°
• Cell volume: 809.82 ± 0.04 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No