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Information card for entry 7707356
Preview
| Coordinates | 7707356.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H52 Br2 Fe N4 O2 |
|---|---|
| Calculated formula | C52 H52 Br2 Fe N4 O2 |
| SMILES | c12c3cc(cc1C=[N]1c4ccccc4CCc4ccccc4/[NH+]=C/c4c5c(cc(c4)C(C)(C)C)C=[N](c4ccccc4CCc4ccccc4/[NH+]=C/3)[Fe]1(O2)(O5)Br)C(C)(C)C.[Br-] |
| Title of publication | Coordination chemistry of [2 + 2] Schiff-base macrocycles derived from the dianilines [(2-NH<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)<sub>2</sub>X] (X = CH<sub>2</sub>CH<sub>2</sub>, 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 | 14.2077 ± 0.0006 Å |
| b | 27.6241 ± 0.0009 Å |
| c | 15.1579 ± 0.0008 Å |
| α | 90° |
| β | 112.484 ± 0.006° |
| γ | 90° |
| Cell volume | 5496.9 ± 0.5 Å3 |
| Cell temperature | 100.15 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.088 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.1681 |
| Weighted residual factors for all reflections included in the refinement | 0.1796 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267192 (current) | 2021-07-05 | cif/ Updating files of 7707347, 7707348, 7707349, 7707350, 7707351, 7707352, 7707353, 7707354, 7707355, 7707356, 7707357, 7707358, 7707359 Original log message: Adding full bibliography for 7707347--7707359.cif. |
7707356.cif |
| 265025 | 2021-05-07 | cif/ Adding structures of 7707347, 7707348, 7707349, 7707350, 7707351, 7707352, 7707353, 7707354, 7707355, 7707356, 7707357, 7707358, 7707359 via cif-deposit CGI script. |
7707356.cif |
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