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Information card for entry 2227102
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| Coordinates | 2227102.cif |
|---|---|
| Structure factors | 2227102.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrapyridinium μ-oxido-di-μ-sulfato-bis[chloridodioxidomolybdate(VI)] |
|---|---|
| Formula | C20 H24 Cl2 Mo2 N4 O13 S2 |
| Calculated formula | C20 H24 Cl2 Mo2 N4 O13 S2 |
| SMILES | [Mo]12(Cl)(O[Mo](Cl)(=O)(=O)(OS(=O)(=O)O1)OS(=O)(=O)O2)(=O)=O.[nH+]1ccccc1.[nH+]1ccccc1.[nH+]1ccccc1 |
| Title of publication | Tetrapyridinium μ-oxido-di-μ-sulfato-bis[chloridodioxidomolybdate(VI)] |
| Authors of publication | Fernandes, José A.; Gomes, Ana C.; Figueiredo, Sónia; Gago, Sandra; Lopes, André D.; Pillinger, Martyn; Ribeiro-Claro, Paulo J. A.; Gonçalves, Isabel S.; Almeida Paz, Filipe A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 8 |
| Pages of publication | m1005 - m1006 |
| a | 10.517 ± 0.004 Å |
| b | 49.281 ± 0.015 Å |
| c | 17.557 ± 0.006 Å |
| α | 90° |
| β | 95.07 ± 0.03° |
| γ | 90° |
| Cell volume | 9064 ± 5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.2563 |
| Residual factor for significantly intense reflections | 0.0979 |
| Weighted residual factors for significantly intense reflections | 0.2046 |
| Weighted residual factors for all reflections included in the refinement | 0.286 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181192 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/71. |
2227102.cif 2227102.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227102.cif 2227102.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227102.cif 2227102.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. | 2227102.cif 2227102.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227102.cif 2227102.hkl |
| 1704 | 2010-11-03 | hkl/2/ Adding Fobs files for the recently deposited IUCr data. |
2227102.cif 2227102.hkl |
| 1553 | 2010-10-08 | cif/2/ Adding data from Acta-Cryst-E-2010_08/. |
2227102.cif |
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Users of the data should acknowledge the original authors of the
structural data.