Information card for entry 7118860

Structure parameters

• Formula: C232.5 H275.5 Cl8 Cu32 N67.5 O57
• Calculated formula: C222.654 H237.09 Cl8 Cu32 N64.218 O42
• Title of publication: An unusual 32-membered copper(ii) metallomacrocube based on a Cu4O3X cubic core: photocatalytic, electrocatalytic, and magnetic properties.
• Authors of publication: Feng, Sisi; Jia, Fei; Lu, Liping; Li, Zhongping; Zhang, Shuo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 23
• Pages of publication: 4294 - 4297
• a: 23.108 ± 0.003 Å
• b: 23.108 ± 0.003 Å
• c: 56.327 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 26048 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1204
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.231
• Weighted residual factors for all reflections included in the refinement: 0.2585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.72 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No