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Information card for entry 2237904
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| Coordinates | 2237904.cif |
|---|---|
| Structure factors | 2237904.hkl |
| Original IUCr paper | HTML |
| Chemical name | [Diaquasesqui(nitrato-κ<i>O</i>)hemi(perchlorato-κ<i>O</i>)copper(II)]-μ-{bis[5-methyl-3-(pyridin-2-yl)-1<i>H</i>-pyrazol-4-yl] selenide}-[triaqua(perchlorato-κ<i>O</i>)copper(II)] nitrate monohydrate |
|---|---|
| Formula | C18 H28 Cl1.5 Cu2 N8.5 O19.5 Se |
| Calculated formula | C18 H28 Cl1.5 Cu2 N8.5 O19.5 Se |
| Title of publication | [Diaquasesqui(nitrato-κ<i>O</i>)hemi(perchlorato-κ<i>O</i>)copper(II)]-μ-{bis[5-methyl-3-(pyridin-2-yl)-1<i>H</i>-pyrazol-4-yl] selenide}-[triaqua(perchlorato-κ<i>O</i>)copper(II)] nitrate monohydrate |
| Authors of publication | Seredyuk, Maksym; Pavlenko, Vadim A.; Znovjyak, Kateryna O.; Gumienna-Kontecka, Elzbieta; Iskenderov, Turganbay S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | m314 - m315 |
| a | 9.7233 ± 0.0006 Å |
| b | 13.1987 ± 0.0007 Å |
| c | 13.3217 ± 0.0008 Å |
| α | 93.51 ± 0.004° |
| β | 108.858 ± 0.005° |
| γ | 93.494 ± 0.004° |
| Cell volume | 1608.93 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.053 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1062 |
| Weighted residual factors for all reflections included in the refinement | 0.1129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181301 (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 2/23/79. |
2237904.cif 2237904.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. |
2237904.cif 2237904.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. |
2237904.cif 2237904.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237904.cif 2237904.hkl |
| 86585 | 2013-07-11 | cif/ Adding structures of 2237904 via cif-deposit CGI script. |
2237904.cif |
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Users of the data should acknowledge the original authors of the
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