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Information card for entry 2238197
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| Coordinates | 2238197.cif |
|---|---|
| Structure factors | 2238197.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Diaquabis(pyridazine-3-carboxylato-κ^2^<i>N</i>^2^,<i>O</i>)cobalt(II) dihydrate |
|---|---|
| Formula | C10 H14 Co N4 O8 |
| Calculated formula | C10 H14 Co N4 O8 |
| SMILES | c12cccn[n]2[Co]2(OC1=O)([OH2])([n]1c(cccn1)C(=O)O2)[OH2].O.O |
| Title of publication | <i>trans</i>-Diaquabis(pyridazine-3-carboxylato-κ^2^<i>N</i>^2^,<i>O</i>)cobalt(II) dihydrate |
| Authors of publication | Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | m420 - m421 |
| a | 5.2934 ± 0.0004 Å |
| b | 7.2817 ± 0.0008 Å |
| c | 9.6196 ± 0.0009 Å |
| α | 79.673 ± 0.008° |
| β | 89.875 ± 0.007° |
| γ | 72.321 ± 0.008° |
| Cell volume | 347.01 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0284 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.0555 |
| Weighted residual factors for all reflections included in the refinement | 0.0575 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181303 (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 2/23/81. |
2238197.cif 2238197.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. |
2238197.cif 2238197.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. |
2238197.cif 2238197.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238197.cif 2238197.hkl |
| 87444 | 2013-08-27 | cif/ Adding structures of 2238197 via cif-deposit CGI script. |
2238197.cif |
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Users of the data should acknowledge the original authors of the
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