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Information card for entry 2235992
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| Coordinates | 2235992.cif |
|---|---|
| Structure factors | 2235992.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4,4',6,6'-Tetrabromo-2,2'-[(<i>E</i>,<i>E</i>)-ethane-1,2-diylbis(nitrilomethanylylidene)]diphenol |
|---|---|
| Formula | C16 H12 Br4 N2 O2 |
| Calculated formula | C16 H12 Br4 N2 O2 |
| SMILES | Brc1cc(/C=N/CC/N=C/c2cc(Br)cc(c2O)Br)c(c(c1)Br)O |
| Title of publication | 4,4',6,6'-Tetrabromo-2,2'-[(<i>E</i>,<i>E</i>)-ethane-1,2-diylbis(nitrilomethanylylidene)]diphenol |
| Authors of publication | Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | o2348 |
| a | 12.723 ± 0.003 Å |
| b | 10.291 ± 0.002 Å |
| c | 6.9428 ± 0.0018 Å |
| α | 90° |
| β | 97.046 ± 0.015° |
| γ | 90° |
| Cell volume | 902.2 ± 0.4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1319 |
| Residual factor for significantly intense reflections | 0.0694 |
| Weighted residual factors for significantly intense reflections | 0.1691 |
| Weighted residual factors for all reflections included in the refinement | 0.2024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
| 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. |
2235992.cif 2235992.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. |
2235992.cif 2235992.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2235992.cif 2235992.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235992.cif 2235992.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. | 2235992.cif 2235992.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235992.cif 2235992.hkl |
| 66079 | 2012-09-06 | cif/ Adding structures of 2235992 via cif-deposit CGI script. |
2235992.cif |
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Users of the data should acknowledge the original authors of the
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