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Information card for entry 2241043
Preview
| Coordinates | 2241043.cif |
|---|---|
| Structure factors | 2241043.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aqua-1κ<i>O</i>-{μ-2-[(2-hydroxyethyl)methylamino]ethanolato-2:1κ^4^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^:<i>O</i>^1^}[μ-2,2'-(methylimino)diethanolato-1:2κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>]dithiocyanato-1κ<i>N</i>,2κ<i>N</i>-chromium(III)copper(II) |
|---|---|
| Formula | C12 H25 Cr Cu N4 O5 S2 |
| Calculated formula | C12 H25 Cr Cu N4 O5 S2 |
| Title of publication | Crystal structure of aqua-1κ<i>O</i>-{μ-2-[(2-hydroxyethyl)methylamino]ethanolato-2:1κ^4^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^:<i>O</i>^1^}[μ-2,2'-(methylimino)diethanolato-1:2κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>]dithiocyanato-1κ<i>N</i>,2κ<i>N</i>-chromium(III)copper(II) |
| Authors of publication | Rusanova, Julia A.; Semenaka, Valentina V.; Dyakonenko, Viktoriya V.; Shishkin, Oleg V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | 1077 - 1080 |
| a | 10.57 ± 0.003 Å |
| b | 14.543 ± 0.004 Å |
| c | 13.94 ± 0.003 Å |
| α | 90° |
| β | 105.571 ± 0.003° |
| γ | 90° |
| Cell volume | 2064.2 ± 0.9 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0645 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1455 |
| Weighted residual factors for all reflections included in the refinement | 0.1501 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241043.cif 2241043.hkl |
| 153693 | 2015-08-27 | cif/ hkl/ Adding structures of 2241043 via cif-deposit CGI script. |
2241043.cif 2241043.hkl |
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Users of the data should acknowledge the original authors of the
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