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Information card for entry 7008778
Preview
| Coordinates | 7008778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C12 H15 Cl N4 O3 |
|---|---|
| Calculated formula | C12 H15 Cl N4 O3 |
| SMILES | [nH+]1c2c(O)cccc2ccc1/C=N/NC(=O)N.[Cl-].OC |
| Title of publication | 2-[(8-Hydroxyquinolinyl)methylene]hydrazinecarboxamide: expanding the coordination sphere of 8-hydroxyquinoline for coordination of rare-earth metal(iii) ions |
| Authors of publication | Albrecht, Markus; Osetska, Olga; Fröhlich, Roland |
| Journal of publication | Dalton Transactions |
| Year of publication | 2005 |
| Journal issue | 23 |
| Pages of publication | 3757 |
| a | 6.625 ± 0.001 Å |
| b | 8.08 ± 0.001 Å |
| c | 12.955 ± 0.001 Å |
| α | 92.16 ± 0.01° |
| β | 91.99 ± 0.01° |
| γ | 103.48 ± 0.01° |
| Cell volume | 673.22 ± 0.14 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 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 | 0.1306 |
| Residual factor for significantly intense reflections | 0.1014 |
| Weighted residual factors for significantly intense reflections | 0.2423 |
| Weighted residual factors for all reflections included in the refinement | 0.2543 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.602 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7008778.cif |
| 179791 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/87. |
7008778.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008778.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008778.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7008778.cif |
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Users of the data should acknowledge the original authors of the
structural data.