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Information card for entry 2233062
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| Coordinates | 2233062.cif |
|---|---|
| Structure factors | 2233062.hkl |
| Original IUCr paper | HTML |
| Chemical name | [1,5-Bis(4-fluorophenyl)thiocarbazonato- κ^2^<i>N</i>^5^,<i>S</i>]phenylmercury(II)} dichloromethane hemisolvate |
|---|---|
| Formula | C19.5 H15 Cl F2 Hg N4 S |
| Calculated formula | C19.5 H15 Cl F2 Hg N4 S |
| SMILES | C1(N=[N](c2ccc(cc2)F)[Hg](c2ccccc2)S1)=NNc1ccc(cc1)F.C(Cl)Cl |
| Title of publication | [1,5-Bis(4-fluorophenyl)thiocarbazonato-κ^2^<i>N</i>^5^,<i>S</i>]phenylmercury(II) dichloromethane hemisolvate |
| Authors of publication | von Eschwege, Karel G.; Muller, Fabian; Muller, Alfred |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1858 - m1859 |
| a | 31.996 ± 0.003 Å |
| b | 10.1889 ± 0.0009 Å |
| c | 26.892 ± 0.002 Å |
| α | 90° |
| β | 116.818 ± 0.001° |
| γ | 90° |
| Cell volume | 7824 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0362 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for all reflections included in the refinement | 0.0744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.209 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181252 (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 2/23/30. |
2233062.cif 2233062.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2233062.cif 2233062.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233062.cif 2233062.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. | 2233062.cif 2233062.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2233062.cif 2233062.hkl |
| 31957 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2233062 via cif-deposit CGI script. |
2233062.cif |
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Users of the data should acknowledge the original authors of the
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