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Information card for entry 7125590
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| Coordinates | 7125590.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H100 Cu2 N12 O20 |
|---|---|
| Calculated formula | C64 H100 Cu2 N12 O20 |
| Title of publication | A bis-salicylaldoximato-copper(II) receptor for selective sulfate uptake. |
| Authors of publication | Wenzel, Marco; Knapp, Quintin W.; Plieger, Paul G. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2011 |
| Journal volume | 47 |
| Journal issue | 1 |
| Pages of publication | 499 - 501 |
| a | 11.847 ± 0.002 Å |
| b | 19.317 ± 0.004 Å |
| c | 37.831 ± 0.008 Å |
| α | 90° |
| β | 93.95 ± 0.03° |
| γ | 90° |
| Cell volume | 8637 ± 3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1092 |
| Residual factor for significantly intense reflections | 0.086 |
| Weighted residual factors for significantly intense reflections | 0.2575 |
| Weighted residual factors for all reflections included in the refinement | 0.2767 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244112 (current) | 2019-11-28 | cif/ Adding structures of 7125590, 7125591, 7125592, 7125593 via cif-deposit CGI script. |
7125590.cif |
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Users of the data should acknowledge the original authors of the
structural data.