Information card for entry 8000552

Structure parameters

• Formula: C50 H38 Au3 N16 O8 S6 Yb
• Calculated formula: C50 H38 Au3 N16 O8 S6 Yb
• Title of publication: Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb^III Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.
• Authors of publication: Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2021
• Pages of publication: 10558 - 10566
• a: 22.961 ± 0.003 Å
• b: 14.1072 ± 0.0016 Å
• c: 18.6968 ± 0.0019 Å
• α: 90°
• β: 103.936 ± 0.007°
• γ: 90°
• Cell volume: 5877.9 ± 1.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.388
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No