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Information card for entry 2231604
Preview
| Coordinates | 2231604.cif |
|---|---|
| Structure factors | 2231604.hkl |
| Original IUCr paper | HTML |
| Chemical name | 8-Hydroxy-2-methylquinolinium dibromido(2-methylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zincate acetonitrile monosolvate |
|---|---|
| Formula | C22 H21 Br2 N3 O2 Zn |
| Calculated formula | C22 H21 Br2 N3 O2 Zn |
| SMILES | Br[Zn]1(Br)Oc2c3[n]1c(ccc3ccc2)C.Oc1c2[nH+]c(ccc2ccc1)C.N#CC |
| Title of publication | 8-Hydroxy-2-methylquinolinium dibromido(2-methylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zincate acetonitrile monosolvate |
| Authors of publication | Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1281 |
| a | 7.187 ± 0.0003 Å |
| b | 9.7795 ± 0.0005 Å |
| c | 16.252 ± 0.0007 Å |
| α | 86.159 ± 0.004° |
| β | 80.775 ± 0.004° |
| γ | 85.098 ± 0.004° |
| Cell volume | 1121.73 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0415 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0599 |
| Weighted residual factors for all reflections included in the refinement | 0.0645 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181238 (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 2/23/16. |
2231604.cif 2231604.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. |
2231604.cif 2231604.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231604.cif 2231604.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. | 2231604.cif 2231604.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231604.cif 2231604.hkl |
| 27734 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231604 via cif-deposit CGI script. |
2231604.cif |
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Users of the data should acknowledge the original authors of the
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