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Information card for entry 2241037
Preview
| Coordinates | 2241037.cif |
|---|---|
| Structure factors | 2241037.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis(μ~2~-tetrabromophthalato-κ^2^<i>O</i>^1^:<i>O</i>^2^)bis[aqua(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II)] |
|---|---|
| Formula | C28 H36 Br8 Cu2 N4 O10 |
| Calculated formula | C28 H36 Br8 Cu2 N4 O10 |
| SMILES | c12c(c(c(c(c1C(=O)O[Cu]1([N](CC[N]1(C)C)(C)C)(OC(=O)c1c(c(c(c(c1C(=O)O[Cu]1(OC2=O)([OH2])[N](CC[N]1(C)C)(C)C)Br)Br)Br)Br)[OH2])Br)Br)Br)Br |
| Title of publication | Crystal structure of bis(μ~2~-tetrabromophthalato-κ^2^<i>O</i>^1^:<i>O</i>^2^)bis[aqua(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II)] |
| Authors of publication | Tobón-Trujillo, Luis Manuel; Villanueva-Sánchez, Luis Felipe; Martínez-Otero, Diego; Dorazco-González, Alejandro |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | m171 - m172 |
| a | 9.0961 ± 0.0002 Å |
| b | 9.2281 ± 0.0002 Å |
| c | 24.4026 ± 0.0007 Å |
| α | 90° |
| β | 95.491 ± 0.0006° |
| γ | 90° |
| Cell volume | 2038.95 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0177 |
| Residual factor for significantly intense reflections | 0.0162 |
| Weighted residual factors for significantly intense reflections | 0.0382 |
| Weighted residual factors for all reflections included in the refinement | 0.0387 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2241037.cif 2241037.hkl |
| 153597 | 2015-08-22 | cif/ hkl/ Adding structures of 2241037 via cif-deposit CGI script. |
2241037.cif 2241037.hkl |
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Users of the data should acknowledge the original authors of the
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