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Information card for entry 2300261
Preview
| Coordinates | 2300261.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | methanol mono-ammoniate |
|---|---|
| Chemical name | methanol mono-ammoniate |
| Formula | C D7 N O |
| Calculated formula | C D7 N O |
| SMILES | C(O[2H])([2H])([2H])[2H].N([2H])([2H])[2H] |
| Title of publication | The crystal structure of perdeuterated methanol monoammoniate (CD~3~OD·ND~3~) determined from neutron powder diffraction data at 4.2 and 180K |
| Authors of publication | Fortes, A. D.; Wood, I. G.; Knight, K. S. |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2009 |
| Journal volume | 42 |
| Journal issue | 6 |
| Pages of publication | 1054 - 1061 |
| a | 11.21169 ± 0.00005 Å |
| b | 7.74663 ± 0.00004 Å |
| c | 7.68077 ± 0.00005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 667.096 ± 0.006 Å3 |
| Cell temperature | 180 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Method of determination | powder diffraction |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176809 (current) | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2300261.cif |
| 170882 | 2015-12-08 | cif/2/30/02/ Fixing value of '_exptl_crystal_density_diffrn' tag, which was given in kg/m^3 instead of g/cm^3. Taking more precise value from original publication. |
2300261.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2300261.cif |
| 32112 | 2012-02-03 | cif/: committing an update of 45+ thous files, with information appended from the originals. | 2300261.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2300261.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). |
2300261.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. |
2300261.cif |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
2300261.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. |
2300261.cif |
| 948 | 2010-01-19 | cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition. |
2300261.cif |
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