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Information card for entry 2233970
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| Coordinates | 2233970.cif |
|---|---|
| Structure factors | 2233970.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido[(1<i>R</i>,2<i>R</i>)-<i>N</i>-(pyridin-2-ylmethyl)cyclohexane- 1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']mercury(II) |
|---|---|
| Formula | C12 H19 Cl2 Hg N3 |
| Calculated formula | C12 H19 Cl2 Hg N3 |
| SMILES | [Hg]12(Cl)(Cl)[n]3ccccc3C[NH]1[C@@H]1CCCC[C@H]1[NH2]2 |
| Title of publication | Dichlorido[(1<i>R</i>,2<i>R</i>)-<i>N</i>-(pyridin-2-ylmethyl)cyclohexane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']mercury(II) |
| Authors of publication | Gao, Chuan-Zhu; Zhang, Xiu-Ying; Cheng, Lin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m235 |
| a | 8.5319 ± 0.0012 Å |
| b | 8.8244 ± 0.0012 Å |
| c | 19.688 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1482.3 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0215 |
| Residual factor for significantly intense reflections | 0.0206 |
| Weighted residual factors for significantly intense reflections | 0.0445 |
| Weighted residual factors for all reflections included in the refinement | 0.0447 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181261 (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 2/23/39. |
2233970.cif 2233970.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. |
2233970.cif 2233970.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233970.cif 2233970.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. | 2233970.cif 2233970.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233970.cif 2233970.hkl |
| 51228 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233970 via cif-deposit CGI script. |
2233970.cif |
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Users of the data should acknowledge the original authors of the
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