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Information card for entry 2235512
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| Coordinates | 2235512.cif |
|---|---|
| Structure factors | 2235512.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido[methyl 2-(quinolin-8-yloxy-κ^2^<i>N</i>,<i>O</i>)acetate-κ<i>O</i>]mercury(II) |
|---|---|
| Formula | C12 H11 Cl2 Hg N O3 |
| Calculated formula | C12 H11 Cl2 Hg N O3 |
| SMILES | c12cccc(c1[n]([Hg](Cl)Cl)ccc2)OCC(=O)OC |
| Title of publication | Dichlorido[methyl 2-(quinolin-8-yloxy-κ^2^<i>N</i>,<i>O</i>)acetate-κ<i>O</i>]mercury(II) |
| Authors of publication | Wang, Yu-Hong; Zhu, Xue-Hua; Song, Rui-Feng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | m951 |
| a | 7.2644 ± 0.0004 Å |
| b | 9.7607 ± 0.0002 Å |
| c | 10.8411 ± 0.0006 Å |
| α | 71.317 ± 0.007° |
| β | 75.453 ± 0.007° |
| γ | 69.816 ± 0.008° |
| Cell volume | 674.87 ± 0.07 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0535 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.1397 |
| Weighted residual factors for all reflections included in the refinement | 0.1416 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181277 (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 2/23/55. |
2235512.cif 2235512.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. |
2235512.cif 2235512.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235512.cif 2235512.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. | 2235512.cif 2235512.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235512.cif 2235512.hkl |
| 63981 | 2012-08-10 | cif/ Adding structures of 2235512 via cif-deposit CGI script. |
2235512.cif |
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Users of the data should acknowledge the original authors of the
structural data.