Information card for entry 1569030

Structure parameters

• Formula: C7 H4 Gd K4 N7 O6 S7
• Calculated formula: C7 H4 Gd K4 N7 O6 S7
• Title of publication: Single-Ion Magnetism in a Three-Dimensional Thiocyanate-Bridged Dysprosium(III) Framework
• Authors of publication: Wan, Qingyun; Arczyński, Mirosław; Wakizaka, Masanori; Gupta, Shraddha; Funakoshi, Nobuto; Yamashita, Masahiro
• Journal of publication: Chemistry
• Year of publication: 2023
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 987 - 995
• a: 20.0701 ± 0.0004 Å
• b: 6.4604 ± 0.0001 Å
• c: 22.2814 ± 0.0005 Å
• α: 90°
• β: 107.245 ± 0.002°
• γ: 90°
• Cell volume: 2759.15 ± 0.1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0187
• Residual factor for significantly intense reflections: 0.0162
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No