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Information card for entry 2237644
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| Coordinates | 2237644.cif |
|---|---|
| Structure factors | 2237644.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aquabis(4-chlorobenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-bis(pyridine-κ<i>N</i>)cobalt(II) |
|---|---|
| Formula | C24 H20 Cl2 Co N2 O5 |
| Calculated formula | C24 H20 Cl2 Co N2 O5 |
| SMILES | [Co]1([O]=C(O1)c1ccc(Cl)cc1)(OC(=O)c1ccc(Cl)cc1)([OH2])([n]1ccccc1)[n]1ccccc1 |
| Title of publication | Aquabis(4-chlorobenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-bis(pyridine-κ<i>N</i>)cobalt(II) |
| Authors of publication | Chen, Ya-Li; Zhang, Chun-E; Fei, Peng; Deng, Chao; Su, Bi-Tao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | m210 |
| a | 15.1157 ± 0.0008 Å |
| b | 5.8696 ± 0.0003 Å |
| c | 28.5419 ± 0.0009 Å |
| α | 90° |
| β | 109.682 ± 0.003° |
| γ | 90° |
| Cell volume | 2384.4 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0479 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0782 |
| Weighted residual factors for all reflections included in the refinement | 0.082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181298 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/76. |
2237644.cif 2237644.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237644.cif 2237644.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237644.cif 2237644.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237644.cif 2237644.hkl |
| 85384 | 2013-05-07 | cif/ Adding structures of 2237644 via cif-deposit CGI script. |
2237644.cif |
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Users of the data should acknowledge the original authors of the
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