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Information card for entry 2102431
Preview
| Coordinates | 2102431.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C7 H6 N4 |
|---|---|
| Calculated formula | C7 H7 N4 |
| SMILES | c1(c2ccccc2)[nH]nnn1 |
| 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 | 9.807 Å |
| b | 15.232 Å |
| c | 4.54 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 678.186 Å3 |
| Number of distinct elements | 3 |
| Space group number | 40 |
| Hermann-Mauguin space group symbol | A m a 2 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199552 (current) | 2017-08-05 | cif/ (antanas@kurmis) Adding the _cell_formula_units_Z data item to entries 2102308-2102369, 2102369-2102476. |
2102431.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. |
2102431.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
2102431.cif |
| 91918 | 2013-12-19 | cif/2/10/ Adding DOI for structures from Marsh paper 'Space group Cc: an update'. |
2102431.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 |
2102431.cif |
| 32112 | 2012-02-03 | cif/: committing an update of 45+ thous files, with information appended from the originals. | 2102431.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2102431.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). |
2102431.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. |
2102431.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. |
2102431.cif |
| 340 | 2008-04-05 | Fixing CIF files headers in the CIF files from the Acta-Cryst-B/ retrospecive deposition. |
2102431.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. |
2102431.cif |
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Users of the data should acknowledge the original authors of the
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