Information card for entry 7131069

Structure parameters

• Chemical name: Cu17O5(OH)6(OiPr)6(O2CtBu)10(NO3)2Â.([NEt3H][NO3])2
• Formula: C320 H680 Cu68 N24 O196
• Calculated formula: C320.001 H680.003 Cu68 N24 O196
• 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: 19.3503 ± 0.0001 Å
• b: 33.6673 ± 0.0003 Å
• c: 21.1824 ± 0.0002 Å
• α: 90°
• β: 95.7608 ± 0.0007°
• γ: 90°
• Cell volume: 13730 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections: 0.1611
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No