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Information card for entry 2240403
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| Coordinates | 2240403.cif |
|---|---|
| Structure factors | 2240403.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dibromido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>){2-(1<i>H</i>-indol-3-yl)-<i>N</i>-[(quinolin-2-yl-κ<i>N</i>)methylidene]ethanamine-κ<i>N</i>}cadmium |
|---|---|
| Formula | C23 H24 Br2 Cd N4 O |
| Calculated formula | C23 H24 Br2 Cd N4 O |
| SMILES | c12ccccc1ccc1C=[N](CCc3c[nH]c4ccccc34)[Cd]([n]21)(Br)(Br)[O]=CN(C)C |
| Title of publication | Crystal structure of dibromido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>){2-(1<i>H</i>-indol-3-yl)-<i>N</i>-[(quinolin-2-yl-κ<i>N</i>)methylidene]ethanamine-κ<i>N</i>}cadmium |
| Authors of publication | Faizi, Md. Serajul Haque; Sharkina, Natalia O.; Davydenko, Yuliya M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | m31 - m32 |
| a | 14.686 ± 0.004 Å |
| b | 8.384 ± 0.002 Å |
| c | 20.157 ± 0.006 Å |
| α | 90° |
| β | 97.785 ± 0.005° |
| γ | 90° |
| Cell volume | 2459 ± 1.2 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 | 0.0578 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0815 |
| Weighted residual factors for all reflections included in the refinement | 0.0923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| 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 |
2240403.cif 2240403.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. |
2240403.cif 2240403.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. |
2240403.cif 2240403.hkl |
| 130063 | 2015-01-23 | cif/ hkl/ Adding structures of 2240403 via cif-deposit CGI script. |
2240403.cif 2240403.hkl |
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Users of the data should acknowledge the original authors of the
structural data.