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Information card for entry 2233787
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| Coordinates | 2233787.cif |
|---|---|
| Structure factors | 2233787.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[bis(dibenzylammonium) [[dichloridomercurate(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']] |
|---|---|
| Formula | C28 H32 Cl2 Hg N2 O4 S |
| Calculated formula | C28 H32 Cl2 Hg N2 O4 S |
| SMILES | [Hg](Cl)(Cl)(OS(=O)(=O)[O-])OS(=O)(=O)O[Hg](Cl)Cl.[NH2+](Cc1ccccc1)Cc1ccccc1.c1(ccccc1)C[NH2+]Cc1ccccc1.[NH2+](Cc1ccccc1)Cc1ccccc1.c1(ccccc1)C[NH2+]Cc1ccccc1 |
| Title of publication | <i>catena</i>-Poly[bis(dibenzylammonium) [[dichloridomercurate(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']] |
| Authors of publication | Boye, Mouhamadou Sembene; Diasse-Sarr, Aminata; Grosjean, Arnaud; Guionneau, Philippe |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m340 |
| a | 22.8275 ± 0.0005 Å |
| b | 12.9547 ± 0.0003 Å |
| c | 10.1512 ± 0.0003 Å |
| α | 90° |
| β | 92.095 ± 0.002° |
| γ | 90° |
| Cell volume | 2999.94 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0467 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1189 |
| Weighted residual factors for all reflections included in the refinement | 0.1211 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181259 (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 2/23/37. |
2233787.cif 2233787.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2233787.cif 2233787.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233787.cif 2233787.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. | 2233787.cif 2233787.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233787.cif 2233787.hkl |
| 51038 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233787 via cif-deposit CGI script. |
2233787.cif |
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Users of the data should acknowledge the original authors of the
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