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Information card for entry 7015871
Preview
| Coordinates | 7015871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H30 Br2 Cu N4 |
|---|---|
| Calculated formula | C12 H30 Br2 Cu N4 |
| SMILES | C1C[N](C)([Cu]23([N]1(CC[N]2(C)C)CC[N]3(C)C)Br)C.[Br-] |
| Title of publication | Atom transfer radical addition (ATRA) catalyzed by copper complexes with tris[2-(dimethylamino)ethyl]amine (Me6TREN) ligand in the presence of free-radical diazo initiator AIBN. |
| Authors of publication | Eckenhoff, William T.; Pintauer, Tomislav |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 18 |
| Pages of publication | 4909 - 4917 |
| a | 12.0512 ± 0.0003 Å |
| b | 12.0512 ± 0.0003 Å |
| c | 12.0512 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1750.21 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 198 |
| Hermann-Mauguin space group symbol | P 21 3 |
| Hall space group symbol | P 2ac 2ab 3 |
| Residual factor for all reflections | 0.0227 |
| Residual factor for significantly intense reflections | 0.0185 |
| Weighted residual factors for significantly intense reflections | 0.0433 |
| Weighted residual factors for all reflections included in the refinement | 0.0443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179862 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/58. |
7015871.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015871.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015871.cif |
| 21371 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7015870, 7015871, 7015872, 7015873, 7015874, 7015875, 7015876, 7015877 via cif-deposit CGI script. |
7015871.cif |
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