Information card for entry 7134282

Structure parameters

• Formula: C327 H450 Cl6 Cu24 N27 O77.25 S24
• Calculated formula: C261 H296 Cl6 Cu24 N5 O55.25 S24
• Title of publication: A [CuII24] truncated octahedron and its [CuII8] building block.
• Authors of publication: Wilson, Lucinda R. B.; Nichol, Gary S.; Dalgarno, Scott J.; Brechin, Euan K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 24
• Pages of publication: 4722 - 4725
• a: 22.2855 ± 0.0004 Å
• b: 22.2953 ± 0.0003 Å
• c: 40.7937 ± 0.0007 Å
• α: 75.732 ± 0.001°
• β: 84.188 ± 0.001°
• γ: 89.715 ± 0.001°
• Cell volume: 19538.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1452
• Residual factor for significantly intense reflections: 0.1017
• Weighted residual factors for significantly intense reflections: 0.2993
• Weighted residual factors for all reflections included in the refinement: 0.3222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No