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Information card for entry 2243023
Preview
| Coordinates | 2243023.cif |
|---|---|
| Structure factors | 2243023.hkl |
| Original IUCr paper | HTML |
| Chemical name | Pentaaquacarbonatopentakis(glycine hydroxamato)nitratopentacopper(II)holmium(III) 3.445-hydrate |
|---|---|
| Formula | C11 H36.89 Cu5 Ho N11 O24.45 |
| Calculated formula | C11 H36.89 Cu5 Ho N11 O24.445 |
| Title of publication | The crystal structures of {<i>Ln</i>Cu~5~}^3+^ (<i>Ln</i> = Gd, Dy and Ho) 15-metallacrown-5 complexes and a reevaluation of the isotypic Eu^III^ analogue |
| Authors of publication | Pavlishchuk, Anna; Naumova, Dina; Zeller, Matthias; Calderon Cazorla, Sebastian; Addison, Anthony W. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 8 |
| Pages of publication | 1215 - 1223 |
| a | 11.2027 ± 0.0009 Å |
| b | 11.4955 ± 0.0009 Å |
| c | 13.2467 ± 0.001 Å |
| α | 94.001 ± 0.003° |
| β | 94.784 ± 0.003° |
| γ | 107.518 ± 0.003° |
| Cell volume | 1613 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0769 |
| Weighted residual factors for all reflections included in the refinement | 0.0824 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217189 (current) | 2019-07-20 | cif/ hkl/ Adding structures of 2243021, 2243022, 2243023 via cif-deposit CGI script. |
2243023.cif 2243023.hkl |
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Users of the data should acknowledge the original authors of the
structural data.