Information card for entry 7134283

Structure parameters

• Formula: C96 H126 Br5 Cu8 N5 O18 S8
• Calculated formula: C96 H126 Br5 Cu8 N5 O18 S8
• 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: 23.499 ± 0.0004 Å
• b: 25.0057 ± 0.0005 Å
• c: 43.0467 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25294.6 ± 0.8 ų
• Cell temperature: 200.01 ± 0.1 K
• Ambient diffraction temperature: 200.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1188
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.2358
• Weighted residual factors for all reflections included in the refinement: 0.2607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No