Information card for entry 7063206

Structure parameters

• Formula: C138 H88 Cu6 N36 O14
• Calculated formula: C138 H88 Cu6 N36 O14
• Title of publication: Structural basis for Cu(ii) metallocycle hexamer formation
• Authors of publication: Bracken, Matthew L.; Fernandes, Manuel A.; Wamwangi, Daniel; Munro, Orde Q.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 14.4764 ± 0.0011 Å
• b: 15.1477 ± 0.0011 Å
• c: 16.438 ± 0.001 Å
• α: 106.667 ± 0.003°
• β: 95.92 ± 0.003°
• γ: 110.424 ± 0.003°
• Cell volume: 3152.1 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No