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Information card for entry 7024496
Preview
| Coordinates | 7024496.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H46 Fe2 Hg2 N2 S4 |
|---|---|
| Calculated formula | C42 H46 Fe2 Hg2 N2 S4 |
| SMILES | [Hg](c1ccccc1)SC(=S)N(C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)C(C)C |
| Title of publication | Syntheses, crystal, photoluminescence and electrochemical investigation of some new phenylmercury(II) dithiocarbamate complexes involving ferrocene. |
| Authors of publication | Singh, Nanhai; Kumar, Abhinav; Prasad, Rajendra; Molloy, Kieran C.; Mahon, Mary F. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 10 |
| Pages of publication | 2667 - 2675 |
| a | 7.4166 ± 0.0001 Å |
| b | 23.7015 ± 0.0003 Å |
| c | 11.9436 ± 0.0001 Å |
| α | 90° |
| β | 106.899 ± 0.001° |
| γ | 90° |
| Cell volume | 2008.84 ± 0.04 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0575 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0903 |
| Weighted residual factors for all reflections included in the refinement | 0.0995 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7024496.cif |
| 179949 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/44. |
7024496.cif |
| 92536 | 2014-01-12 | cif/ Adding structures of 7024495, 7024496, 7024497, 7024498 via cif-deposit CGI script. |
7024496.cif |
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Users of the data should acknowledge the original authors of the
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