Information card for entry 7134088

Structure parameters

• Formula: C72 H61 Au N2 O S2
• Calculated formula: C72 H61 Au N2 O 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: 12.7865 ± 0.0003 Å
• b: 18.6284 ± 0.0005 Å
• c: 24.3015 ± 0.0007 Å
• α: 90°
• β: 93.93 ± 0.002°
• γ: 90°
• Cell volume: 5774.8 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No