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Information card for entry 2238547
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| Coordinates | 2238547.cif |
|---|---|
| Structure factors | 2238547.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-(2,3-Dimethylphenyl)piperazine-1,4-diium tetrachloridocuprate(II) |
|---|---|
| Formula | C12 H20 Cl4 Cu N2 |
| Calculated formula | C12 H20 Cl4 Cu N2 |
| SMILES | [Cu](Cl)(Cl)([Cl-])[Cl-].[NH+]1(c2c(c(ccc2)C)C)CC[NH2+]CC1 |
| Title of publication | 1-(2,3-Dimethylphenyl)piperazine-1,4-diium tetrachloridocuprate(II) |
| Authors of publication | Ben Mabrouk, Safa; Ameur, Iness; Abid, Sonia; Rzaigui, Mohamed |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | m485 |
| a | 7.1986 ± 0.0015 Å |
| b | 7.7611 ± 0.0011 Å |
| c | 15.635 ± 0.004 Å |
| α | 77.035 ± 0.016° |
| β | 79.311 ± 0.019° |
| γ | 81.845 ± 0.014° |
| Cell volume | 831.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.112 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1092 |
| Weighted residual factors for all reflections included in the refinement | 0.1293 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.56087 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181307 (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 2/23/85. |
2238547.cif 2238547.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. |
2238547.cif 2238547.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238547.cif 2238547.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238547.cif 2238547.hkl |
| 88687 | 2013-10-02 | cif/ Adding structures of 2238547 via cif-deposit CGI script. |
2238547.cif |
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Users of the data should acknowledge the original authors of the
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