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Information card for entry 2229295
Preview
| Coordinates | 2229295.cif |
|---|---|
| Structure factors | 2229295.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-pyridine-2,5-dicarboxylato)-\ κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^;κ^3^<i>O</i>^5^:<i>N</i>,<i>O</i>^2^- bis[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] dihydrate |
|---|---|
| Formula | C34 H30 Co2 N6 O12 |
| Calculated formula | C34 H30 Co2 N6 O12 |
| SMILES | c12c3[n](cccc3)[Co]34([n]1cccc2)([n]1c(ccc(c1)C(=O)O[Co]12([n]5ccccc5c5cccc[n]15)([n]1c(ccc(c1)C(=O)O4)C(=O)O2)[OH2])C(=O)O3)[OH2].O.O |
| Title of publication | Bis(μ-pyridine-2,5-dicarboxylato)-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^;κ^3^<i>O</i>^5^:<i>N</i>,<i>O</i>^2^-bis[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] dihydrate |
| Authors of publication | Lush, Shie Fu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | m278 - m279 |
| a | 7.2731 ± 0.0011 Å |
| b | 9.7123 ± 0.0015 Å |
| c | 12.2887 ± 0.0019 Å |
| α | 98.447 ± 0.003° |
| β | 103.283 ± 0.003° |
| γ | 91.564 ± 0.003° |
| Cell volume | 834 ± 0.2 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.065 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1405 |
| Weighted residual factors for all reflections included in the refinement | 0.1453 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181213 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/92. |
2229295.cif 2229295.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229295.cif 2229295.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229295.cif 2229295.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. | 2229295.cif 2229295.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229295.cif 2229295.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229295.cif 2229295.hkl |
| 12388 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229295 via cif-deposit CGI script. |
2229295.cif |
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Users of the data should acknowledge the original authors of the
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