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Information card for entry 2243985
Preview
| Coordinates | 2243985.cif |
|---|---|
| Structure factors | 2243985.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[hexaaquahemiaquapentakis(μ~3~-glycinehydroxamato)sulfatopentacopper(II)terbium(III)] sulfate hexahydrate |
|---|---|
| Formula | C20 H78 Cu10 N20 O51 S3 Tb2 |
| Calculated formula | C20 H78 Cu10 N20 O51 S3 Tb2 |
| Title of publication | Crystal structure of a Tb^III^–Cu^II^ glycinehydroxamate 15-metallacrown-5 sulfate complex |
| Authors of publication | Pavlishchuk, Anna V.; Vasylenko, Inna V.; Zeller, Matthias; Addison, Anthony W. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 12 |
| Pages of publication | 1197 - 1202 |
| a | 9.637 ± 0.0004 Å |
| b | 11.5888 ± 0.0005 Å |
| c | 16.2367 ± 0.0006 Å |
| α | 99.6716 ± 0.0013° |
| β | 91.3031 ± 0.0012° |
| γ | 105.312 ± 0.0012° |
| Cell volume | 1719.81 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0414 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1167 |
| Weighted residual factors for all reflections included in the refinement | 0.1175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271904 (current) | 2022-01-07 | cif/ hkl/ Adding structures of 2243985 via cif-deposit CGI script. |
2243985.cif 2243985.hkl |
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Users of the data should acknowledge the original authors of the
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