Information card for entry 7707347

Structure parameters

• Formula: C52 H54 Br4 Co N4 O2
• Calculated formula: C52 H54 Br4 Co N4 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: 12.2629 ± 0.0005 Å
• b: 13.2489 ± 0.0006 Å
• c: 17.0384 ± 0.0007 Å
• α: 96.85 ± 0.003°
• β: 91.115 ± 0.003°
• γ: 99.672 ± 0.004°
• Cell volume: 2707.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1343
• Residual factor for significantly intense reflections: 0.1136
• Weighted residual factors for significantly intense reflections: 0.2782
• Weighted residual factors for all reflections included in the refinement: 0.2974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No