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Information card for entry 7702527
Preview
| Coordinates | 7702527.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H20 Br Cu F6 N4 P |
|---|---|
| Calculated formula | C12 H20 Br Cu F6 N4 P |
| Title of publication | X-Ray diffraction and molecular mechanics studies of 12-, 13-, and 14-membered tetraaza macrocycles containing pyridine: effect of the macrocyclic cavity size on the selectivity of the metal ion |
| Authors of publication | Félix, Vitor; Costa, Judite; Delgado, Rita; Drew, Michael G. B.; Duarte, Maria Teresa; Resende, Catarina |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 9 |
| Pages of publication | 1462 |
| a | 8.559 ± 0.003 Å |
| b | 9.592 ± 0.003 Å |
| c | 11.803 ± 0.003 Å |
| α | 77.69 ± 0.02° |
| β | 75.19 ± 0.02° |
| γ | 88.56 ± 0.02° |
| Cell volume | 914.8 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.107 |
| Residual factor for significantly intense reflections | 0.0731 |
| Weighted residual factors for significantly intense reflections | 0.1745 |
| Weighted residual factors for all reflections included in the refinement | 0.2043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243893 (current) | 2019-11-28 | cif/ Adding structures of 7702526, 7702527, 7702528 via cif-deposit CGI script. |
7702527.cif |
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Users of the data should acknowledge the original authors of the
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