Information card for entry 4515201

Structure parameters

• Formula: C110 H240 Cl24 Cu61 S32
• Calculated formula: C110 H240 Cl24 Cu61 S32
• Title of publication: [Cu61(StBu)26S6Cl6H14]+: A Core‒Shell Superatom Nanocluster with a Quasi-J36 Cu19 Core and an “18-Crown-6” Metal-Sulfide-like Stabilizing Belt
• Authors of publication: Ghosh, Atanu; Huang, Ren-Wu; Alamer, Badriah; Abou-Hamad, Edy; Hedhili, Mohamed Nejib; Mohammed, Omar F.; Bakr, Osman M.
• Journal of publication: ACS Materials Letters
• Year of publication: 2019
• Journal volume: 1
• Journal issue: 3
• Pages of publication: 297
• a: 35.762 ± 0.013 Å
• b: 21.04 ± 0.009 Å
• c: 29.441 ± 0.01 Å
• α: 90°
• β: 94.412 ± 0.012°
• γ: 90°
• Cell volume: 22087 ± 14 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130.04 K
• Number of distinct elements: 5
• 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: 0.1167
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No