Information card for entry 7707348

Structure parameters

• Formula: C45 H36 Br2 Co2 N4 O5
• Calculated formula: C45 H36 Br2 Co2 N4 O5
• SMILES: [Co]123(Br)[N]4=Cc5c6c(cc(c5)C)C=[N]5[Co]7(Br)([N](=Cc8c(c(C=[N]1c1c(cccc1)Oc1c4cccc1)cc(c8)C)[O]37)c1ccccc1Oc1ccccc51)[O]26.CC(=O)C
• 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: 11.4774 ± 0.0008 Å
• b: 14.5787 ± 0.001 Å
• c: 26.021 ± 0.003 Å
• α: 90°
• β: 100.235 ± 0.008°
• γ: 90°
• Cell volume: 4284.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1943
• Residual factor for significantly intense reflections: 0.1281
• Weighted residual factors for significantly intense reflections: 0.3311
• Weighted residual factors for all reflections included in the refinement: 0.3709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No