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Information card for entry 2015533
Preview
| Coordinates | 2015533.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Triaquamanganese sulfite |
|---|---|
| Formula | H6 Mn O6 S |
| Calculated formula | H6 Mn O6 S |
| SMILES | [Mn]1([OH2])([OH2])([OH2])OS(=[O][Mn]2([OH2])([OH2])([OH2])OS(=O)O1)O[Mn]1([OH2])([OH2])([OH2])OS(O[Mn]([OH2])([OH2])([OH2])OS(=[O]2)O1)=O |
| Title of publication | Triaquamanganese sulfite revisited |
| Authors of publication | M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 9 |
| Pages of publication | i79 - i82 |
| a | 9.7577 ± 0.001 Å |
| b | 5.6319 ± 0.0006 Å |
| c | 9.5579 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 525.25 ± 0.1 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0207 |
| Residual factor for significantly intense reflections | 0.0199 |
| Weighted residual factors for significantly intense reflections | 0.0516 |
| Weighted residual factors for all reflections included in the refinement | 0.052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277834 (current) | 2022-09-14 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
2015533.cif |
| 194047 | 2017-03-07 | cif/2/01/ (antanas@echidna.ibt.lt) Removing incorrectly marked comments that were interpreted as '_geom_hbond' loop values in entries 2015423, 2015532, 2015533. |
2015533.cif |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2015533.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2015533.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2015533.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
2015533.cif |
| 321 | 2008-03-30 | Changing the COD CIF files header (comments) in all files that were recently deposited from the IUCr autodownloaded sources to the text agreed with IUCr. |
2015533.cif |
| 179 | 2008-02-29 | Adding CIF files from today's Acta-Cryst-C-2006-04_12/ deposition. |
2015533.cif |
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Users of the data should acknowledge the original authors of the
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