Information card for entry 1545287

Structure parameters

• Formula: C56 H94 Cl4 Cu4 N10 O24
• Calculated formula: C56 H94 Cl4 Cu4 N10 O24
• Title of publication: Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.
• Authors of publication: Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 3031 - 3037
• a: 12.2247 ± 0.0006 Å
• b: 12.3904 ± 0.0005 Å
• c: 15.0274 ± 0.0007 Å
• α: 106.67 ± 0.004°
• β: 96.765 ± 0.004°
• γ: 118.889 ± 0.003°
• Cell volume: 1817.8 ± 0.18 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No