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Information card for entry 1500013
Preview
| Coordinates | 1500013.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H20 Cl2 Cu N10 O10 |
|---|---|
| Calculated formula | C22 H20 Cl2 Cu N10 O10 |
| SMILES | [Cu]1([n]2cccc3ccc4c([n]1ccc4)c23)([n]1cn[n]2c1nccc2)([n]1cn[n]2c1nccc2)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O |
| Title of publication | Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative |
| Authors of publication | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas |
| Journal of publication | Polyhedron |
| Year of publication | 2008 |
| Journal volume | 27 |
| Pages of publication | 2779 - 2784 |
| a | 9.5677 ± 0.0005 Å |
| b | 12.4114 ± 0.0006 Å |
| c | 13.3517 ± 0.0006 Å |
| α | 75.465 ± 0.001° |
| β | 71.674 ± 0.001° |
| γ | 78.059 ± 0.001° |
| Cell volume | 1442.71 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0321 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0826 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1500013.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1500013.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1500013.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
1500013.cif |
| 903 | 2009-11-23 | cif/ Setting svn:keywords property on those CIFs that did not have them. |
1500013.cif |
| 457 | 2008-10-13 | Depositing files from Acta-Cryst-B-2008_02-04, Acta-Cryst-C-2008_03-08, and personal contributions. |
1500013.cif |
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