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Information card for entry 2236914
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| Coordinates | 2236914.cif |
|---|---|
| Structure factors | 2236914.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | [Aquabis(nitrato-κ<i>O</i>)copper(II)]μ-{bis[5-methyl-3-(pyridin-2-yl)- 1<i>H</i>-pyrazol-4-yl]selenide}-[diaqua(nitrato-κ<i>O</i>)copper(II)] nitrate monohydrate |
|---|---|
| Formula | C18 H24 Cu2 N10 O16 Se |
| Calculated formula | C18 H24 Cu2 N10 O16 Se |
| Title of publication | [Aquabis(nitrato-κ<i>O</i>)copper(II)]-μ-{bis[5-methyl-3-(pyridin-2-yl)-1<i>H</i>-pyrazol-4-yl]selenide}-[diaqua(nitrato-κ<i>O</i>)copper(II)] nitrate monohydrate |
| Authors of publication | Seredyuk, Maksym; Pavlenko, Vadim A.; Gumienna-Kontecka, Elzbieta; Iskenderov, Turganbay S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m1472 - m1473 |
| a | 10.102 ± 0.002 Å |
| b | 11.629 ± 0.002 Å |
| c | 12.796 ± 0.003 Å |
| α | 98.56 ± 0.03° |
| β | 93.07 ± 0.03° |
| γ | 93.04 ± 0.03° |
| Cell volume | 1481.5 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1451 |
| Residual factor for significantly intense reflections | 0.08 |
| Weighted residual factors for significantly intense reflections | 0.1887 |
| Weighted residual factors for all reflections included in the refinement | 0.2228 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| 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. |
2236914.cif 2236914.hkl |
| 181291 | 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 2/23/69. |
2236914.cif 2236914.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. |
2236914.cif 2236914.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236914.cif 2236914.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. | 2236914.cif 2236914.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. |
2236914.cif 2236914.hkl |
| 71177 | 2013-01-18 | cif/ Adding structures of 2236914 via cif-deposit CGI script. |
2236914.cif |
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Users of the data should acknowledge the original authors of the
structural data.