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Information card for entry 2235939
Preview
| Coordinates | 2235939.cif |
|---|---|
| Structure factors | 2235939.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Aqua[2,2'-(propane-1,3-diyl)bis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato)- κ^4^<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^3'^,<i>O</i>^4'^](pyridine- κ<i>N</i>)cobalt(II)–4,4'-bipyridine (1/1) |
|---|---|
| Formula | C28 H24 Co N7 O9 |
| Calculated formula | C28 H24 Co N7 O9 |
| Title of publication | Aqua[2,2'-(propane-1,3-diyl)bis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato)-κ^4^<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^3'^,<i>O</i>^4'^](pyridine-κ<i>N</i>)cobalt(II)–4,4'-bipyridine (1/1) |
| Authors of publication | Liu, Wei; Li, Xia |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m1109 - m1110 |
| a | 7.9733 ± 0.001 Å |
| b | 20.738 ± 0.003 Å |
| c | 8.2987 ± 0.0011 Å |
| α | 90° |
| β | 91.35 ± 0.002° |
| γ | 90° |
| Cell volume | 1371.8 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0617 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.0958 |
| Weighted residual factors for all reflections included in the refinement | 0.1053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2235939.cif 2235939.hkl |
| 181281 | 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 2/23/59. |
2235939.cif 2235939.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. |
2235939.cif 2235939.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235939.cif 2235939.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. | 2235939.cif 2235939.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235939.cif 2235939.hkl |
| 66021 | 2012-09-06 | cif/ Adding structures of 2235939 via cif-deposit CGI script. |
2235939.cif |
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Users of the data should acknowledge the original authors of the
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