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Information card for entry 2235316
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| Coordinates | 2235316.cif |
|---|---|
| Structure factors | 2235316.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[(5,5'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')cadmium]-di-μ-bromido] |
|---|---|
| Formula | C12 H12 Br2 Cd N2 |
| Calculated formula | C12 H12 Br2 Cd N2 |
| SMILES | [Cd]12([n]3c(ccc(c3)C)c3[n]2cc(C)cc3)([Br][Cd]2([Br]1)[n]1cc(C)ccc1c1[n]2cc(C)cc1)(Br)Br |
| Title of publication | <i>catena</i>-Poly[[(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium]-di-μ-bromido] |
| 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 | 6 |
| Pages of publication | m846 |
| a | 19.637 ± 0.005 Å |
| b | 9.6563 ± 0.0015 Å |
| c | 7.485 ± 0.002 Å |
| α | 90° |
| β | 104.76 ± 0.02° |
| γ | 90° |
| Cell volume | 1372.5 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0606 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181275 (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 2/23/53. |
2235316.cif 2235316.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2235316.cif 2235316.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235316.cif 2235316.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. | 2235316.cif 2235316.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235316.cif 2235316.hkl |
| 62002 | 2012-07-05 | cif/ Adding structures of 2235316 via cif-deposit CGI script. |
2235316.cif |
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Users of the data should acknowledge the original authors of the
structural data.