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Information card for entry 7015531
Preview
| Coordinates | 7015531.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H12 Cl2 Cu N8 |
|---|---|
| Calculated formula | C12 H12 Cl2 Cu N8 |
| SMILES | c1cccc2[n]1[Cu]1([n]3ccccc3C[N]1=N#N)([N](C2)=N#N)(Cl)Cl |
| 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 | 8.3249 ± 0.0008 Å |
| b | 9.4048 ± 0.0009 Å |
| c | 10.028 ± 0.0009 Å |
| α | 90° |
| β | 100.693 ± 0.001° |
| γ | 90° |
| Cell volume | 771.5 ± 0.13 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0224 |
| Residual factor for significantly intense reflections | 0.0204 |
| Weighted residual factors for significantly intense reflections | 0.0537 |
| Weighted residual factors for all reflections included in the refinement | 0.0548 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| 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. |
7015531.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015531.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015531.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. |
7015531.cif |
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