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Information card for entry 2229615
Preview
| Coordinates | 2229615.cif |
|---|---|
| Structure factors | 2229615.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dibromido[(1<i>R</i>,2<i>R</i>,<i>N</i>^1^<i>S</i>)-<i>N</i>-(pyridin-2- ylmethyl)cyclohexane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']cadmium |
|---|---|
| Formula | C12 H19 Br2 Cd N3 |
| Calculated formula | C12 H19 Br2 Cd N3 |
| SMILES | [Cd]12(Br)(Br)[n]3ccccc3C[NH]1[C@@H]1CCCC[C@H]1[NH2]2 |
| Title of publication | Dibromido[(1<i>R</i>,2<i>R</i>,<i>N</i>^1^<i>S</i>)-<i>N</i>-(pyridin-2-ylmethyl)cyclohexane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']cadmium |
| Authors of publication | Yin, Run-Ting; Cao, Zhe; Cheng, Lin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 4 |
| Pages of publication | m392 |
| a | 8.7153 ± 0.0016 Å |
| b | 9.1978 ± 0.0017 Å |
| c | 19.759 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1583.9 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0565 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0466 |
| Weighted residual factors for all reflections included in the refinement | 0.0519 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181217 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/96. |
2229615.cif 2229615.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229615.cif 2229615.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229615.cif 2229615.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. | 2229615.cif 2229615.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229615.cif 2229615.hkl |
| 19531 | 2011-05-17 | hkl/2/ Adding Fobs data for the latest IUCr deposition. |
2229615.cif 2229615.hkl |
| 19071 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2229615 via cif-deposit CGI script. |
2229615.cif |
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Users of the data should acknowledge the original authors of the
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