Information card for entry 1571175

Structure parameters

• Formula: C101 H132 Cu4 N4 O13
• Calculated formula: C101 H132 Cu4 N4 O13
• Title of publication: Reversible dioxygen uptake at [Cu4] clusters
• Authors of publication: Osei, Manasseh Kusi; Mirzaei, Saber; Mirzaei, M. Saeed; Valles, Agustin; Hernández Sánchez, Raúl
• Journal of publication: Chemical Science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 5327 - 5332
• a: 51.7208 ± 0.0003 Å
• b: 51.7208 ± 0.0003 Å
• c: 23.7243 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 54961 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1243
• Residual factor for significantly intense reflections: 0.1012
• Weighted residual factors for significantly intense reflections: 0.3104
• Weighted residual factors for all reflections included in the refinement: 0.3408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.326
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No