Information card for entry 7707359

Structure parameters

• Formula: C56 H58 Br3 Cu2 N6 O2
• Calculated formula: C56 H58 Br3 Cu2 N6 O2
• Title of publication: Coordination chemistry of [2 + 2] Schiff-base macrocycles derived from the dianilines [(2-NH₂C₆H₄)₂X] (X = CH₂CH₂, O): structural studies and ROP capability towards cyclic esters.
• Authors of publication: Wang, Kuiyuan; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Redshaw, Carl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 23
• Pages of publication: 8057 - 8069
• a: 10.0808 ± 0.0002 Å
• b: 15.0015 ± 0.0004 Å
• c: 18.6604 ± 0.0004 Å
• α: 71.443 ± 0.002°
• β: 82.738 ± 0.002°
• γ: 76.6 ± 0.002°
• Cell volume: 2598.16 ± 0.11 ų
• Cell temperature: 99.9 ± 0.6 K
• Ambient diffraction temperature: 99.9 ± 0.6 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: 0.0676
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No