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Information card for entry 2235864
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| Coordinates | 2235864.cif |
|---|---|
| Structure factors | 2235864.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dibromido(dimethyl sulfoxide-κ<i>O</i>)(6-methyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium |
|---|---|
| Formula | C13 H16 Br2 Cd N2 O S |
| Calculated formula | C13 H16 Br2 Cd N2 O S |
| SMILES | Cc1cccc2c3cccc[n]3[Cd]([n]12)(Br)(Br)[O]=S(C)C |
| Title of publication | Dibromido(dimethyl sulfoxide-κ<i>O</i>)(6-methyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium |
| Authors of publication | Shirvan, Sadif A.; Haydari Dezfuli, Sara |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m1124 |
| a | 9.0169 ± 0.0006 Å |
| b | 14.5503 ± 0.0008 Å |
| c | 14.1473 ± 0.0008 Å |
| α | 90° |
| β | 106.561 ± 0.005° |
| γ | 90° |
| Cell volume | 1779.11 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0766 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1652 |
| Weighted residual factors for all reflections included in the refinement | 0.175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181280 (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 2/23/58. |
2235864.cif 2235864.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. |
2235864.cif 2235864.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235864.cif 2235864.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. | 2235864.cif 2235864.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235864.cif 2235864.hkl |
| 65939 | 2012-09-06 | cif/ Adding structures of 2235864 via cif-deposit CGI script. |
2235864.cif |
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Users of the data should acknowledge the original authors of the
structural data.