Information card for entry 7134084

Structure parameters

• Formula: C37 H44.5 Au Br Cl2.5 N3 S2
• Calculated formula: C36 H43 Au Br N3 S2
• Title of publication: NHC-Au-xanthate complexes.
• Authors of publication: Chakraborty, Supratim; Gorski, Aleksander; Danylyuk, Oksana; Niemirowicz-Laskowska, Katarzyna; Car, Halina; Michalak, Michał
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 8
• Pages of publication: 1697 - 1700
• a: 24.7221 ± 0.0004 Å
• b: 14.5417 ± 0.0002 Å
• c: 24.1478 ± 0.0004 Å
• α: 90°
• β: 113.02 ± 0.002°
• γ: 90°
• Cell volume: 7989.9 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No