Information card for entry 7042737

Structure parameters

• Formula: C48 H45 Cl Cu3 O24 Zn
• Calculated formula: C48 H44.9998 Cl Cu3 O24 Zn
• Title of publication: Metal-ion induced ferromagnetic polarization in mixed-spin system
• Authors of publication: Song, You; Yang, Li; Li, Jing; Pu, Tian-Cheng; Kong, Ming
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.896 ± 0.008 Å
• b: 12.896 ± 0.008 Å
• c: 53.12 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7651 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No