Information card for entry 7047738

Structure parameters

• Formula: C67 H100 Co20 N78 O42 S26
• Calculated formula: C67 H96.9954 Co20 N78 O41.9916 S26.0004
• Title of publication: Synthesis, structure and magnetic properties of two mixed-valence icosanuclear nanocages.
• Authors of publication: Wang, Hui; Xu, Xiaoling; Jiang, Yimin; Yao, Pengfei; Li, Bo; Zou, Huahong; Zhou, Jinglin; Chen, Zilu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 42
• Pages of publication: 15141 - 15147
• a: 26.34708 ± 0.00015 Å
• b: 26.34708 ± 0.00015 Å
• c: 26.34708 ± 0.00015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18289.3 ± 0.18 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No