Information card for entry 7115341

Structure parameters

• Formula: C50 H47.5 Co7 N2.5 O29
• Calculated formula: C47.94 H6 Co7 O25.02
• Title of publication: A bilayer triangular lattice with crown-like Co7 spin cluster SBUs exhibiting high spin frustration
• Authors of publication: Ya-Min Li; Hui-Jie Lun; Chang-Yu Xiao; Yan-Qing Xu; Ling Wu; Jing-He Yang; Jing-Yang Niu; Sheng-Chang Xiang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 8558
• a: 14.997 ± 0.003 Å
• b: 14.997 ± 0.003 Å
• c: 52.244 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10176 ± 4 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No