Information card for entry 7131065

Structure parameters

• Formula: C26 H54 Cu2 O11
• Calculated formula: C26 H54 Cu2 O11
• Title of publication: Synthesis of a nanoscale Cu(II)₃₁-oxo-carboxylate cluster, and effect of Cu-oxo cluster size on visible-light absorption.
• Authors of publication: Barnes, Thomas J.; Payne, Jack; Pike, Sebastian D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 59 - 62
• a: 11.5793 ± 0.0001 Å
• b: 11.9448 ± 0.0001 Å
• c: 14.6338 ± 0.0001 Å
• α: 99.4804 ± 0.0008°
• β: 110.815 ± 0.0008°
• γ: 105.828 ± 0.0008°
• Cell volume: 1741.46 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections: 0.1292
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0098
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No