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Information card for entry 2239522
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| Coordinates | 2239522.cif |
|---|---|
| Structure factors | 2239522.hkl |
| Original IUCr paper | HTML |
| Chemical name | [Bis(quinolin-2-ylcarbonyl)amido-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']bromido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II) |
|---|---|
| Formula | C23 H19 Br Cu N4 O3 |
| Calculated formula | C23 H19 Br Cu N4 O3 |
| SMILES | c12ccccc1ccc1C(=O)N3C(=O)c4ccc5ccccc5[n]4[Cu]3([n]21)([O]=CN(C)C)Br |
| Title of publication | [Bis(quinolin-2-ylcarbonyl)amido-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']bromido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II) |
| Authors of publication | Faizi, Md. Serajul Haque; Sen, Pratik |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | m206 - m207 |
| a | 9.2137 ± 0.0006 Å |
| b | 23.522 ± 0.0016 Å |
| c | 10.4842 ± 0.0007 Å |
| α | 90° |
| β | 110.284 ± 0.001° |
| γ | 90° |
| Cell volume | 2131.3 ± 0.2 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0435 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0779 |
| Weighted residual factors for all reflections included in the refinement | 0.0814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239522.cif 2239522.hkl |
| 181314 | 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 2/23/95. |
2239522.cif 2239522.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. |
2239522.cif 2239522.hkl |
| 113290 | 2014-05-10 | cif/ hkl/ Adding structures of 2239522 via cif-deposit CGI script. |
2239522.cif 2239522.hkl |
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Users of the data should acknowledge the original authors of the
structural data.