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Information card for entry 2102472
Preview
| Coordinates | 2102472.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Formula | C12 H19 I N2 O6 S Si |
|---|---|
| Calculated formula | C12 H19 I N2 O6 S Si |
| Title of publication | Space group <i>Cc</i>: an update |
| Authors of publication | Marsh, Richard E. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 2 |
| Pages of publication | 252 - 253 |
| a | 9.2758 Å |
| b | 10.736 Å |
| c | 9.853 Å |
| α | 90° |
| β | 106.51° |
| γ | 90° |
| Cell volume | 940.756 Å3 |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301802 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/10 Each referenced PubChem compound corresponds to the full crystal structure. |
2102472.cif |
| 199552 | 2017-08-05 | cif/ (antanas@kurmis) Adding the _cell_formula_units_Z data item to entries 2102308-2102369, 2102369-2102476. |
2102472.cif |
| 199520 | 2017-08-04 | cif/2/10/24/ (antanas@echidna.ibt.lt) Changing the _chemical_formula_moiety data item value from 'C12 H19 N2 O6 S ISi2' to 'C12 H19 N2 O6 S I Si' and updating the _chemical_formula_sum data item value accordingly in entry 2102472 after consulting the publication of the authors that originally solved the structure. |
2102472.cif |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2102472.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
2102472.cif |
| 91918 | 2013-12-19 | cif/2/10/ Adding DOI for structures from Marsh paper 'Space group Cc: an update'. |
2102472.cif |
| 89805 | 2013-11-11 | cif/2/10/ Adding moiety chemical formula from Marsh (2004) paper. The summary chemical formula is calculated from moiety formula using 'AdHocParser': Name: AdHocParser.yp URL: svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp Repository Root: svn://www.crystallography.net/cod-tools Repository UUID: 04be6746-3802-0410-999d-98508da1e98c Revision: 2351 |
2102472.cif |
| 32112 | 2012-02-03 | cif/: committing an update of 45+ thous files, with information appended from the originals. | 2102472.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2102472.cif |
| 26029 | 2011-09-17 | cif/2/ Reverting changes of revision 25271: ( cd cif/2/; svn merge -r25271:25270 . ) The problem was that the reprocessed files from IUCr, although were more complete, "resurrected" data errors that were corrected in the previous recisions. The additional data that have been extracted during the reprocessing will have to be merged without overwriting the existing values in COD files, except some explicit and controlled cases (such as publication titles and chemical names). |
2102472.cif |
| 25271 | 2011-09-10 | cif/2/ Adding reporocessed IUCr CIFs for the years 1980-2010. The CIFs now contain more complete bibliography, substance names, correctly unfolded text fields (using the CIF line unfolding protocol), explicitely set cell angles, and _cod_data_source_block fields. |
2102472.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. |
2102472.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
2102472.cif |
| 340 | 2008-04-05 | Fixing CIF files headers in the CIF files from the Acta-Cryst-B/ retrospecive deposition. |
2102472.cif |
| 326 | 2008-04-03 | Adding all Acta Cryst. B, C, and E missing retrospective CIF files up to 2008 February, generated from the files that were automatically downloaded from the IUCr site. |
2102472.cif |
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