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Information card for entry 2236153
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| Coordinates | 2236153.cif |
|---|---|
| Structure factors | 2236153.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Ethylenediamine-κ^2^<i>N</i>,<i>N</i>)bis[2-(pyridin-2-yl-κ<i>N</i>)- 1,3-imidazol-1-ido-κ<i>N</i>^1^]cobalt(III) nitrate monohydrate |
|---|---|
| Formula | C18 H22 Co N9 O4 |
| Calculated formula | C18 H22 Co N9 O4 |
| SMILES | [Co]123(n4c(ncc4)c4[n]1cccc4)(n1c(ncc1)c1[n]2cccc1)[NH2]CC[NH2]3.N(=O)(=O)[O-].O |
| Title of publication | (Ethylenediamine-κ^2^<i>N</i>,<i>N</i>)bis[2-(pyridin-2-yl-κ<i>N</i>)-1,3-imidazol-1-ido-κ<i>N</i>^1^]cobalt(III) nitrate monohydrate |
| Authors of publication | Feng, Xiu-Ling; Zhang, Yu-Ping |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 9 |
| Pages of publication | m1155 |
| a | 8.6669 ± 0.0005 Å |
| b | 11.0574 ± 0.0008 Å |
| c | 12.5304 ± 0.001 Å |
| α | 76.133 ± 0.002° |
| β | 75.672 ± 0.002° |
| γ | 68.797 ± 0.001° |
| Cell volume | 1069.62 ± 0.13 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0519 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0959 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181283 (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 2/23/61. |
2236153.cif 2236153.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. |
2236153.cif 2236153.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236153.cif 2236153.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. | 2236153.cif 2236153.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236153.cif 2236153.hkl |
| 69698 | 2012-12-21 | cif/ Adding structures of 2236153 via cif-deposit CGI script. |
2236153.cif |
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Users of the data should acknowledge the original authors of the
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