Information card for entry 4134234

Structure parameters

• Formula: C492 H1340 Br6 Gd102 N60 Ni36 O832 S54
• Calculated formula: C432 H695 Br6 Gd102 N54 Ni36 O624 S54
• Title of publication: The Gigantic {Ni₃₆Gd₁₀₂} Hexagon: A Sulfate-Templated "Star-of-David" for Photocatalytic CO₂ Reduction and Magnetic Cooling.
• Authors of publication: Chen, Wei-Peng; Liao, Pei-Qin; Jin, Peng-Bo; Zhang, Lei; Ling, Bo-Kai; Wang, Shi-Cheng; Chan, Yi-Tsu; Chen, Xiao-Ming; Zheng, Yan-Zhen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 77.656 ± 0.016 Å
• b: 32.255 ± 0.007 Å
• c: 64.599 ± 0.013 Å
• α: 90°
• β: 118.26 ± 0.03°
• γ: 90°
• Cell volume: 142521 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2127
• Residual factor for significantly intense reflections: 0.1258
• Weighted residual factors for significantly intense reflections: 0.2789
• Weighted residual factors for all reflections included in the refinement: 0.3145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.8265 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No