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Information card for entry 7015527
Preview
| Coordinates | 7015527.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H41 Cl2 Cu N15 O8 |
|---|---|
| Calculated formula | C48 H41 Cl2 Cu N15 O8 |
| SMILES | [Cu]1234([n]5nc(cn5Cc5[n]1c(ccc5)Cn1[n]2nc(c1)c1ccccc1)c1ccccc1)[n]1nc(c2ccccc2)cn1Cc1[n]3c(ccc1)Cn1[n]4nc(c1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].CC#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 | 11.6858 ± 0.0007 Å |
| b | 12.5597 ± 0.0008 Å |
| c | 17.8088 ± 0.0011 Å |
| α | 70.093 ± 0.001° |
| β | 78.667 ± 0.001° |
| γ | 79.742 ± 0.001° |
| Cell volume | 2392.1 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0584 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1078 |
| Weighted residual factors for all reflections included in the refinement | 0.1148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| 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. |
7015527.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015527.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015527.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. |
7015527.cif |
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