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Information card for entry 2237883
Preview
| Coordinates | 2237883.cif |
|---|---|
| Structure factors | 2237883.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(2,2',2''-nitrilotriacetamide-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cobalt(II) dinitrate tetrahydrate |
|---|---|
| Formula | C12 H32 Co N10 O16 |
| Calculated formula | C12 H32 Co N10 O16 |
| SMILES | NC(=O)C[N]12CC(=[O][Co]342([O]=C(C1)N)[O]=C(C[N]4(CC(=O)N)CC(=[O]3)N)N)N.[O-]N(=O)=O.[O-]N(=O)=O.O.O.O.O |
| Title of publication | Bis(2,2',2''-nitrilotriacetamide-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cobalt(II) dinitrate tetrahydrate |
| Authors of publication | Ran, Jing-Wen; Pei, Jun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | m325 |
| a | 8.491 ± 0.0017 Å |
| b | 9.141 ± 0.0018 Å |
| c | 9.258 ± 0.0019 Å |
| α | 91.55 ± 0.03° |
| β | 96.03 ± 0.03° |
| γ | 110.68 ± 0.03° |
| Cell volume | 667 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0297 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0782 |
| Weighted residual factors for all reflections included in the refinement | 0.0798 |
| 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 | No |
| 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. |
2237883.cif 2237883.hkl |
| 181300 | 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 2/23/78. |
2237883.cif 2237883.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. |
2237883.cif 2237883.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. |
2237883.cif 2237883.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237883.cif 2237883.hkl |
| 86564 | 2013-07-11 | cif/ Adding structures of 2237883 via cif-deposit CGI script. |
2237883.cif |
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Users of the data should acknowledge the original authors of the
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