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Information card for entry 2240392
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| Coordinates | 2240392.cif |
|---|---|
| Structure factors | 2240392.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(thiocyanato-κ<i>S</i>)bis(thiourea-κ<i>S</i>)mercury(II) |
|---|---|
| Formula | C4 H8 Hg N6 S4 |
| Calculated formula | C4 H8 Hg N6 S4 |
| SMILES | [Hg](SC#N)(SC#N)([S]=C(N)N)[S]=C(N)N |
| Title of publication | Crystal structure of bis(thiocyanato-κ<i>S</i>)bis(thiourea-κ<i>S</i>)mercury(II) |
| Authors of publication | Baskaran, A.; Rajarajan, K.; NizamMohideen, M.; Sagayaraj, P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | m28 - m29 |
| a | 8.5359 ± 0.0005 Å |
| b | 9.0337 ± 0.0005 Å |
| c | 15.7575 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1215.07 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P b c 21 |
| Hall space group symbol | P 2c -2b |
| Residual factor for all reflections | 0.0353 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0704 |
| Weighted residual factors for all reflections included in the refinement | 0.0752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240392.cif 2240392.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240392.cif 2240392.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240392.cif 2240392.hkl |
| 129970 | 2015-01-18 | cif/ hkl/ Adding structures of 2240392 via cif-deposit CGI script. |
2240392.cif 2240392.hkl |
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Users of the data should acknowledge the original authors of the
structural data.