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Information card for entry 2236174
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| Coordinates | 2236174.cif |
|---|---|
| Structure factors | 2236174.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{2,4-dibromo-6-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato- κ^2^<i>N</i>,<i>O</i>}zinc |
|---|---|
| Formula | C28 H18 Br4 F2 N2 O2 Zn |
| Calculated formula | C28 H18 Br4 F2 N2 O2 Zn |
| SMILES | Brc1c2c(cc(c1)Br)C=[N]([Zn]1([N](=Cc3c(c(cc(c3)Br)Br)O1)Cc1ccc(F)cc1)O2)Cc1ccc(F)cc1 |
| Title of publication | Bis{2,4-dibromo-6-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}zinc |
| Authors of publication | Zhang, Dingjun; Yu, Hong; Jin, Yue-Bao; Lei, Ke-Wei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 11 |
| Pages of publication | m1424 |
| a | 14.6277 ± 0.0011 Å |
| b | 9.8273 ± 0.0003 Å |
| c | 13.0879 ± 0.001 Å |
| α | 90° |
| β | 133.49 ± 0.013° |
| γ | 90° |
| Cell volume | 1364.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0172 |
| Residual factor for significantly intense reflections | 0.0167 |
| Weighted residual factors for significantly intense reflections | 0.0404 |
| Weighted residual factors for all reflections included in the refinement | 0.0406 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181283 (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 2/23/61. |
2236174.cif 2236174.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2236174.cif 2236174.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236174.cif 2236174.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. | 2236174.cif 2236174.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236174.cif 2236174.hkl |
| 69719 | 2012-12-21 | cif/ Adding structures of 2236174 via cif-deposit CGI script. |
2236174.cif |
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Users of the data should acknowledge the original authors of the
structural data.