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Information card for entry 2235948
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| Coordinates | 2235948.cif |
|---|---|
| Structure factors | 2235948.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dibromido{2-[(4-fluorophenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}zinc |
|---|---|
| Formula | C12 H9 Br2 F N2 Zn |
| Calculated formula | C12 H9 Br2 F N2 Zn |
| SMILES | Br[Zn]1(Br)[N](=Cc2cccc[n]12)c1ccc(F)cc1 |
| Title of publication | Dibromido{2-[(4-fluorophenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}zinc |
| Authors of publication | Dehghanpour, Saeed; Mahmoudi, Ali |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m1113 |
| a | 7.7351 ± 0.001 Å |
| b | 9.5372 ± 0.0013 Å |
| c | 18.501 ± 0.002 Å |
| α | 90° |
| β | 96.052 ± 0.003° |
| γ | 90° |
| Cell volume | 1357.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0411 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0671 |
| Weighted residual factors for all reflections included in the refinement | 0.0716 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181281 (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 2/23/59. |
2235948.cif 2235948.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. |
2235948.cif 2235948.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235948.cif 2235948.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. | 2235948.cif 2235948.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235948.cif 2235948.hkl |
| 66031 | 2012-09-06 | cif/ Adding structures of 2235948 via cif-deposit CGI script. |
2235948.cif |
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Users of the data should acknowledge the original authors of the
structural data.