Information card for entry 4131924

Structure parameters

• Common name: [Ni18 Cl6 (C40H44S4O4)6 (C6H4NO2S)6]
• Formula: C276 H288 Cl6 N6 Ni18 O36 S30
• Calculated formula: C276 H270 Cl6 N6 Ni18 O36 S30
• Title of publication: Calixarene-Based {Ni₁₈} Coordination Wheel: Highly Efficient Electrocatalyst for the Glucose Oxidation and Template for the Homogenous Cluster Fabrication.
• Authors of publication: Wang, Shentang; Gao, Xiaohui; Hang, Xinxin; Zhu, Xiaofei; Han, Haitao; Li, Xiaokun; Liao, Wuping; Chen, Wei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 20
• Pages of publication: 6271 - 6277
• a: 18.052 ± 0.005 Å
• b: 23.231 ± 0.005 Å
• c: 26.344 ± 0.005 Å
• α: 70.236 ± 0.005°
• β: 77.675 ± 0.005°
• γ: 86.573 ± 0.005°
• Cell volume: 10156 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.2208
• Weighted residual factors for all reflections included in the refinement: 0.241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No