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Information card for entry 7015533
Preview
| Coordinates | 7015533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H7 Cl2 Cu N7 |
|---|---|
| Calculated formula | C7 H7 Cl2 Cu N7 |
| SMILES | [Cu]12(Cl)(Cl)[n]3c(cccc3C[N]1=N#N)C[N]2=N#N |
| Title of publication | Tridentate complexes of 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine and its organic azide precursors: an application of the copper(II) acetate-accelerated azide-alkyne cycloaddition. |
| Authors of publication | Brotherton, Wendy S.; Guha, Pampa M.; Phan, Hoa; Clark, Ronald J.; Shatruk, Michael; Zhu, Lei |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 14 |
| Pages of publication | 3655 - 3665 |
| a | 7.1364 ± 0.0004 Å |
| b | 9.0635 ± 0.0005 Å |
| c | 10.3618 ± 0.0005 Å |
| α | 108.756 ± 0.001° |
| β | 94.27 ± 0.001° |
| γ | 107.286 ± 0.001° |
| Cell volume | 595.15 ± 0.06 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0298 |
| Residual factor for significantly intense reflections | 0.0247 |
| Weighted residual factors for significantly intense reflections | 0.0573 |
| Weighted residual factors for all reflections included in the refinement | 0.0593 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7015533.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015533.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015533.cif |
| 21182 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015525, 7015526, 7015527, 7015528, 7015529, 7015530, 7015531, 7015532, 7015533, 7015534, 7015535 via cif-deposit CGI script. |
7015533.cif |
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Users of the data should acknowledge the original authors of the
structural data.