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Information card for entry 2234535
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| Coordinates | 2234535.cif |
|---|---|
| Structure factors | 2234535.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[(2-aminopyrimidine-κ<i>N</i>^1^)(thiocyanato- κ<i>S</i>)mercury(II)]-μ-thiocyanato-κ^2^<i>S</i>:<i>N</i>] |
|---|---|
| Formula | C6 H5 Hg N5 S2 |
| Calculated formula | C6 H5 Hg N5 S2 |
| SMILES | [Hg](SC#N)(SC#N)([n]1c(N)nccc1)[N]#CS[Hg](SC#N)[n]1c(N)nccc1 |
| Title of publication | <i>catena</i>-Poly[[(2-aminopyrimidine-κ<i>N</i>^1^)(thiocyanato-κ<i>S</i>)mercury(II)]-μ-thiocyanato-κ^2^<i>S</i>:<i>N</i>] |
| Authors of publication | Hoseinzadeh, Fatemeh; Shirvan, Sadif A.; Haydari Dezfuli, Sara |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | m646 |
| a | 25.819 ± 0.002 Å |
| b | 6.006 ± 0.0004 Å |
| c | 20.1176 ± 0.0015 Å |
| α | 90° |
| β | 136.222 ± 0.004° |
| γ | 90° |
| Cell volume | 2158.4 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0732 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.0824 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181267 (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 2/23/45. |
2234535.cif 2234535.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. |
2234535.cif 2234535.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234535.cif 2234535.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. | 2234535.cif 2234535.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234535.cif 2234535.hkl |
| 59993 | 2012-06-14 | cif/ Adding structures of 2234535 via cif-deposit CGI script. |
2234535.cif |
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Users of the data should acknowledge the original authors of the
structural data.