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Information card for entry 7021624
Preview
| Coordinates | 7021624.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H28 Cu N8 O3 |
|---|---|
| Calculated formula | C26 H28 Cu N8 O3 |
| Title of publication | Condensed, solution and gas phase behaviour of mono- and dinuclear 2,6-diacetylpyridine (dap) hydrazone copper complexes probed by X-ray, mass spectrometry and theoretical calculations. |
| Authors of publication | Neto, Brenno A. D.; Viana, Barbara F. L.; Rodrigues, Thyago S.; Lalli, Priscila M.; Eberlin, Marcos N.; da Silva, Wender A.; de Oliveira, Heibbe C. B.; Gatto, Claudia C. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 32 |
| Pages of publication | 11497 - 11506 |
| a | 20.987 ± 0.0004 Å |
| b | 18.809 ± 0.0003 Å |
| c | 15.3539 ± 0.0003 Å |
| α | 90° |
| β | 113.536 ± 0.001° |
| γ | 90° |
| Cell volume | 5556.66 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0788 |
| Residual factor for significantly intense reflections | 0.0609 |
| Weighted residual factors for significantly intense reflections | 0.1587 |
| Weighted residual factors for all reflections included in the refinement | 0.1714 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211196 (current) | 2018-09-27 | cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries. |
7021624.cif |
| 179921 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/16. |
7021624.cif |
| 87638 | 2013-08-27 | cif/ Adding structures of 7021621, 7021622, 7021623, 7021624 via cif-deposit CGI script. |
7021624.cif |
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Users of the data should acknowledge the original authors of the
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