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Information card for entry 2230896
Preview
| Coordinates | 2230896.cif |
|---|---|
| Structure factors | 2230896.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(2-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(nitrito- κ^2^<i>O</i>,<i>O</i>')copper(II) dihydrate |
|---|---|
| Formula | C10 H20 Cu N6 O6 |
| Calculated formula | C10 H20 Cu N6 O6 |
| SMILES | c1(CC)[n]([Cu]23(ON=[O]2)([n]2c(CC)[nH]cc2)[O]=NO3)cc[nH]1.O.O |
| Title of publication | Bis(2-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(nitrito-κ^2^<i>O</i>,<i>O</i>')copper(II) dihydrate |
| Authors of publication | Zhu, Run-Qiang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m937 |
| a | 12.96 ± 0.006 Å |
| b | 17.635 ± 0.007 Å |
| c | 7.288 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1665.7 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0356 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0759 |
| Weighted residual factors for all reflections included in the refinement | 0.0788 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| 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. |
2230896.cif 2230896.hkl |
| 181230 | 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 2/23/08. |
2230896.cif 2230896.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. |
2230896.cif 2230896.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230896.cif 2230896.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. | 2230896.cif 2230896.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230896.cif 2230896.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230896.cif 2230896.hkl |
| 23221 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230896 via cif-deposit CGI script. |
2230896.cif |
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Users of the data should acknowledge the original authors of the
structural data.