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Information card for entry 1507817
Preview
| Coordinates | 1507817.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H22 Cl6 Hg2 I4 N4 |
|---|---|
| Calculated formula | C32 H22 Cl6 Hg2 I4 N4 |
| SMILES | [Hg]1(I)(I)[n]2c3ccccc3ccc2C=[N]1c1c2cccc([N]3[Hg](I)(I)[n]4c5ccccc5ccc4C=3)c2ccc1.ClC(Cl)Cl.ClC(Cl)Cl |
| Title of publication | Recognition of Hg2+ ion through restricted imine isomerization: crystallographic evidence and imaging in live cells. |
| Authors of publication | Mandal, Amal Kumar; Suresh, Moorthy; Das, Priyadip; Suresh, E.; Baidya, Mithu; Ghosh, Sudip K.; Das, Amitava |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 12 |
| Pages of publication | 2980 - 2983 |
| a | 8.7014 ± 0.0015 Å |
| b | 9.8508 ± 0.0018 Å |
| c | 14.078 ± 0.003 Å |
| α | 76.845 ± 0.003° |
| β | 75.545 ± 0.003° |
| γ | 65.076 ± 0.002° |
| Cell volume | 1049.3 ± 0.3 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.0494 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507817.cif |
| 113518 | 2014-05-13 | cif/ Updating files of 1507816, 1507817, 1507818 Original log message: Adding full bibliography for 1507816--1507818.cif. |
1507817.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507817.cif |
| 62306 | 2012-07-07 | cif/ Adding structures of 1507816, 1507817, 1507818 via cif-deposit CGI script. |
1507817.cif |
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