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Information card for entry 2228876
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| Coordinates | 2228876.cif |
|---|---|
| Structure factors | 2228876.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dibromidobis(1-ethyl-2,6-dimethylpyridinium-4-olate-κ<i>O</i>)zinc(II) |
|---|---|
| Formula | C18 H26 Br2 N2 O2 Zn |
| Calculated formula | C18 H26 Br2 N2 O2 Zn |
| SMILES | c1(cc(cc(C)n1CC)=[O][Zn]([O]=c1cc(C)n(c(c1)C)CC)(Br)Br)C |
| Title of publication | Dibromidobis(1-ethyl-2,6-dimethylpyridinium-4-olate-κ<i>O</i>)zinc(II) |
| Authors of publication | Thenmozhi, M.; Philominal, A.; Dhanuskodi, S.; Ponnuswamy, M. N. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | m103 - m104 |
| a | 8.462 ± 0.001 Å |
| b | 8.518 ± 0.001 Å |
| c | 14.418 ± 0.003 Å |
| α | 93.131 ± 0.006° |
| β | 97.871 ± 0.007° |
| γ | 90.21 ± 0.008° |
| Cell volume | 1027.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0716 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1809 |
| Weighted residual factors for all reflections included in the refinement | 0.189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181209 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/88. |
2228876.cif 2228876.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228876.cif 2228876.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2228876.cif 2228876.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228876.cif 2228876.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. | 2228876.cif 2228876.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228876.cif 2228876.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228876.cif 2228876.hkl |
| 10120 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228876 via cif-deposit CGI script. |
2228876.cif |
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Users of the data should acknowledge the original authors of the
structural data.