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Information card for entry 2240418
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| Coordinates | 2240418.cif |
|---|---|
| Structure factors | 2240418.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2-{[(3-bromopropyl)imino]methyl}phenolato-κ^2^<i>N</i>,<i>O</i>)copper(II) |
|---|---|
| Formula | C20 H22 Br2 Cu N2 O2 |
| Calculated formula | C20 H22 Br2 Cu N2 O2 |
| SMILES | [Cu]12([N](CCCBr)=Cc3ccccc3O1)[N](=Cc1ccccc1O2)CCCBr |
| Title of publication | Crystal structure of bis(2-{[(3-bromopropyl)imino]methyl}phenolato-κ^2^<i>N</i>,<i>O</i>)copper(II) |
| Authors of publication | Ourari, Ali; Zoubeidi, Chahinaz; Bouacida, Sofiane; Derafa, Wassila; Merazig, Hocine |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | m33 - m34 |
| a | 10.6478 ± 0.0004 Å |
| b | 7.199 ± 0.0003 Å |
| c | 13.9283 ± 0.0005 Å |
| α | 90° |
| β | 104.9 ± 0.002° |
| γ | 90° |
| Cell volume | 1031.75 ± 0.07 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0447 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240418.cif 2240418.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240418.cif 2240418.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240418.cif 2240418.hkl |
| 130105 | 2015-01-25 | cif/ hkl/ Adding structures of 2240418 via cif-deposit CGI script. |
2240418.cif 2240418.hkl |
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Users of the data should acknowledge the original authors of the
structural data.