Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4342319
Preview
| Coordinates | 4342319.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H36 Br2 Cu N4 O3 |
|---|---|
| Calculated formula | C27 H36 Br2 Cu N4 O3 |
| SMILES | [Br-].[Cu]123(Br)[N](Cc4[n]1cc(c(c4C)OC)C)(Cc1[n]2cc(c(c1C)OC)C)Cc1[n]3cc(c(c1C)OC)C |
| 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 | 14.8434 ± 0.0004 Å |
| b | 16.5774 ± 0.0005 Å |
| c | 17.2306 ± 0.0005 Å |
| α | 115.218 ± 0.002° |
| β | 111.733 ± 0.002° |
| γ | 94.596 ± 0.002° |
| Cell volume | 3417.4 ± 0.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0486 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.1216 |
| Weighted residual factors for all reflections included in the refinement | 0.1327 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
| 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. |
4342319.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. |
4342319.cif |
| 130520 | 2015-02-04 | cif/ Adding structures of 4342314, 4342315, 4342316, 4342317, 4342318, 4342319 via cif-deposit CGI script. |
4342319.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.