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Information card for entry 2232341
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| Coordinates | 2232341.cif |
|---|---|
| Structure factors | 2232341.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>fac</i>-Tris(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)cobalt(III) |
|---|---|
| Formula | C18 H12 Co N3 O6 |
| Calculated formula | C18 H12 Co N3 O6 |
| SMILES | c1c2C(=O)O[Co]34([n]2ccc1)([n]1ccccc1C(=O)O3)[n]1ccccc1C(=O)O4 |
| Title of publication | <i>fac</i>-Tris(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)cobalt(III) |
| Authors of publication | Golenia, Irina A.; Boyko, Alexander N.; Kotova, Natalia V.; Haukka, Matti; Kalibabchuk, Valentina A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1596 - m1597 |
| a | 12.8617 ± 0.0012 Å |
| b | 12.8617 ± 0.0012 Å |
| c | 6.2122 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 889.96 ± 0.17 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 168 |
| Hermann-Mauguin space group symbol | P 6 |
| Hall space group symbol | P 6 |
| Residual factor for all reflections | 0.0753 |
| Residual factor for significantly intense reflections | 0.0682 |
| Weighted residual factors for significantly intense reflections | 0.1873 |
| Weighted residual factors for all reflections included in the refinement | 0.1972 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181245 (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 2/23/23. |
2232341.cif 2232341.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. |
2232341.cif 2232341.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232341.cif 2232341.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232341.cif 2232341.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232341.cif 2232341.hkl |
| 30996 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232341 via cif-deposit CGI script. |
2232341.cif |
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Users of the data should acknowledge the original authors of the
structural data.