Information card for entry 7707352

Structure parameters

• Formula: C12 H18 Br6 Fe3 N6 O
• Calculated formula: C12 H18 Br6 Fe3 N6 O
• 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: 12.3952 ± 0.0001 Å
• b: 12.3952 ± 0.0001 Å
• c: 30.5277 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4061.92 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0189
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No