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Information card for entry 2227332
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| Coordinates | 2227332.cif |
|---|---|
| Structure factors | 2227332.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichloridobis(1-ethyl-2,6-dimethylpyridinium-4-olate-κ<i>O</i>)zinc(II) |
|---|---|
| Formula | C18 H26 Cl2 N2 O2 Zn |
| Calculated formula | C18 H26 Cl2 N2 O2 Zn |
| SMILES | c1(cc(cc(C)n1CC)=[O][Zn](Cl)(Cl)[O]=c1cc(C)n(c(c1)C)CC)C |
| Title of publication | Dichloridobis(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 | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | m1448 |
| a | 30.365 ± 0.002 Å |
| b | 8.5366 ± 0.0006 Å |
| c | 15.7982 ± 0.0012 Å |
| α | 90° |
| β | 94.281 ± 0.004° |
| γ | 90° |
| Cell volume | 4083.7 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0791 |
| Weighted residual factors for all reflections included in the refinement | 0.084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181194 (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 2/22/73. |
2227332.cif 2227332.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. |
2227332.cif 2227332.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2227332.cif 2227332.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227332.cif 2227332.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. | 2227332.cif 2227332.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227332.cif 2227332.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227332.cif 2227332.hkl |
| 4369 | 2010-12-17 | ../uploads/cif-deposit/cod/cif Adding structures of 2227332 via cif-deposit CGI script. |
2227332.cif |
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Users of the data should acknowledge the original authors of the
structural data.