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Information card for entry 4342317
Preview
| Coordinates | 4342317.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H24 Br2 Cu N4 O |
|---|---|
| Calculated formula | C21 H24 Br2 Cu N4 O |
| SMILES | [Cu]123(Br)[N](Cc4[n]2cccc4)(Cc2[n]3cc(c(c2C)OC)C)Cc2[n]1cccc2.[Br-] |
| Title of publication | Properties and ATRP Activity of Copper Complexes with Substituted Tris(2-pyridylmethyl)amine-Based Ligands. |
| Authors of publication | Kaur, Aman; Ribelli, Thomas G.; Schröder, Kristin; Matyjaszewski, Krzysztof; Pintauer, Tomislav |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 1474 - 1486 |
| a | 15.2862 ± 0.0004 Å |
| b | 9.7907 ± 0.0002 Å |
| c | 16.3026 ± 0.0004 Å |
| α | 90° |
| β | 104.372 ± 0.001° |
| γ | 90° |
| Cell volume | 2363.53 ± 0.1 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| 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 | 0.0356 |
| Residual factor for significantly intense reflections | 0.0279 |
| Weighted residual factors for significantly intense reflections | 0.098 |
| Weighted residual factors for all reflections included in the refinement | 0.1053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.825 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179526 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/23. |
4342317.cif |
| 132839 | 2015-03-04 | cif/ Updating files of 4342314, 4342315, 4342316, 4342317, 4342318, 4342319 Original log message: Adding full bibliography for 4342314--4342319.cif. |
4342317.cif |
| 130520 | 2015-02-04 | cif/ Adding structures of 4342314, 4342315, 4342316, 4342317, 4342318, 4342319 via cif-deposit CGI script. |
4342317.cif |
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Users of the data should acknowledge the original authors of the
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