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Information card for entry 8101813
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| Coordinates | 8101813.cif |
|---|
| Chemical name | diaquabis(5-chlorosalicylaldehydato)cobalt(II) |
|---|---|
| Formula | C14 H12 Cl2 Co O6 |
| Calculated formula | C14 H12 Cl2 Co O6 |
| SMILES | [Co]12(Oc3c(cc(Cl)cc3)C=[O]2)(Oc2c(cc(Cl)cc2)C=[O]1)([OH2])[OH2] |
| Title of publication | Crystal structure of diaquabis(5-chlorosalicylaldehydato)cobalt(II), Co(H~2~O)~2~(C~7~H~4~ClO~2~)~2~ |
| Authors of publication | Z.-X. Li; X.-L. Zhang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 3 |
| Pages of publication | 427 - 428 |
| a | 15.412 ± 0.002 Å |
| b | 7.474 ± 0.002 Å |
| c | 14.733 ± 0.002 Å |
| α | 90° |
| β | 116.703 ± 0.002° |
| γ | 90° |
| Cell volume | 1516.1 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0643 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.0906 |
| Weighted residual factors for all reflections included in the refinement | 0.1006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (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 8. |
8101813.cif |
| 107931 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101813.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101813.cif |
| 12552 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101813 via cif-deposit CGI script. |
8101813.cif |
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Users of the data should acknowledge the original authors of the
structural data.