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Information card for entry 2239013
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| Coordinates | 2239013.cif |
|---|---|
| Structure factors | 2239013.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 1-(4-Hydroxyphenyl)piperazine-1,4-diium tetrachloridocobalt(II) monohydrate |
|---|---|
| Formula | C10 H18 Cl4 Co N2 O2 |
| Calculated formula | C10 H18 Cl4 Co N2 O2 |
| SMILES | [Co](Cl)(Cl)([Cl-])[Cl-].[NH+]1(c2ccc(O)cc2)CC[NH2+]CC1.O |
| Title of publication | 1-(4-Hydroxyphenyl)piperazine-1,4-diium tetrachloridocobalt(II) monohydrate |
| Authors of publication | Mghandef, Marwa; Boughzala, Habib |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | m75 |
| a | 7.455 ± 0.001 Å |
| b | 8.002 ± 0.002 Å |
| c | 14.105 ± 0.001 Å |
| α | 91.72 ± 0.01° |
| β | 96.98 ± 0.01° |
| γ | 99.19 ± 0.01° |
| Cell volume | 823.4 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0371 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.1015 |
| Weighted residual factors for all reflections included in the refinement | 0.1015 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239013.cif 2239013.hkl |
| 181309 | 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 2/23/90. |
2239013.cif 2239013.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. |
2239013.cif 2239013.hkl |
| 104845 | 2014-03-11 | cif/ hkl/ Adding structures of 2239013 via cif-deposit CGI script. |
2239013.cif 2239013.hkl |
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Users of the data should acknowledge the original authors of the
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