Information card for entry 7707350

Structure parameters

• Formula: C62 H65 Br4 Co2 N11 O4
• Calculated formula: C62 H65 Br4 Co2 N11 O4
• 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: 15.7781 ± 0.0001 Å
• b: 25.0018 ± 0.0002 Å
• c: 16.2838 ± 0.0001 Å
• α: 90°
• β: 91.911 ± 0.001°
• γ: 90°
• Cell volume: 6420.08 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No