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Information card for entry 2235967
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| Coordinates | 2235967.cif |
|---|---|
| Structure factors | 2235967.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diiodido[methyl 2-(quinolin-8-yloxy)acetate-κ<i>N</i>]mercury(II) |
|---|---|
| Formula | C12 H11 Hg I2 N O3 |
| Calculated formula | C12 H11 Hg I2 N O3 |
| SMILES | [Hg](I)(I)[n]1cccc2cccc(OCC(=O)OC)c12 |
| Title of publication | Diiodido[methyl 2-(quinolin-8-yloxy)acetate-κ<i>N</i>]mercury(II) |
| Authors of publication | Wang, Yu-Hong; Zhong, Qin; Song, Rui-Feng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m1057 |
| a | 7.5889 ± 0.0005 Å |
| b | 10.367 ± 0.0007 Å |
| c | 11.4241 ± 0.0011 Å |
| α | 72.203 ± 0.018° |
| β | 74.4 ± 0.02° |
| γ | 68.644 ± 0.019° |
| Cell volume | 784.32 ± 0.16 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 | 0.0541 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.0952 |
| Weighted residual factors for all reflections included in the refinement | 0.1041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181281 (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 2/23/59. |
2235967.cif 2235967.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. |
2235967.cif 2235967.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235967.cif 2235967.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. | 2235967.cif 2235967.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235967.cif 2235967.hkl |
| 66053 | 2012-09-06 | cif/ Adding structures of 2235967 via cif-deposit CGI script. |
2235967.cif |
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Users of the data should acknowledge the original authors of the
structural data.