Information card for entry 7063204

Structure parameters

• Formula: C129.5 H84 Cu6 N30 O17.5
• Calculated formula: C128 H78 Cu6 N30 O16
• 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: 12.8621 ± 0.0007 Å
• b: 14.6778 ± 0.0008 Å
• c: 17.1404 ± 0.0009 Å
• α: 76.085 ± 0.002°
• β: 70.053 ± 0.002°
• γ: 81.249 ± 0.002°
• Cell volume: 2943.8 ± 0.3 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: 0.0525
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.1
• 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