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Information card for entry 2235988
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| Coordinates | 2235988.cif |
|---|---|
| Structure factors | 2235988.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{6-bromo-4-chloro-2-[(<i>E</i>)-(2- chlorophenyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}copper(II) |
|---|---|
| Formula | C26 H14 Br2 Cl4 Cu N2 O2 |
| Calculated formula | C26 H14 Br2 Cl4 Cu N2 O2 |
| SMILES | c12O[Cu]3([N](=Cc2cc(cc1Br)Cl)c1ccc(cc1)Cl)[N](=Cc1c(c(cc(c1)Cl)Br)O3)c1ccc(cc1)Cl |
| Title of publication | Bis{6-bromo-4-chloro-2-[(<i>E</i>)-(2-chlorophenyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}copper(II) |
| Authors of publication | Ping, Zhang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m1118 |
| a | 11.064 ± 0.003 Å |
| b | 9.437 ± 0.002 Å |
| c | 13.277 ± 0.004 Å |
| α | 90° |
| β | 108.997 ± 0.003° |
| γ | 90° |
| Cell volume | 1310.8 ± 0.6 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.0413 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0619 |
| Weighted residual factors for all reflections included in the refinement | 0.065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| 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. |
2235988.cif 2235988.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. |
2235988.cif 2235988.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235988.cif 2235988.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. | 2235988.cif 2235988.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235988.cif 2235988.hkl |
| 66075 | 2012-09-06 | cif/ Adding structures of 2235988 via cif-deposit CGI script. |
2235988.cif |
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Users of the data should acknowledge the original authors of the
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