Information card for entry 8000551

Structure parameters

• Formula: C92 H64 Ag6 N28 O31 Yb2
• Calculated formula: C92 H64 Ag6 N28 O31 Yb2
• 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: 13.117 ± 0.003 Å
• b: 24.758 ± 0.004 Å
• c: 37.628 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12220 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.2356
• Weighted residual factors for all reflections included in the refinement: 0.254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No