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Information card for entry 7205020
Preview
| Coordinates | 7205020.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | Imidazolium acetophosphonate |
|---|---|
| Formula | C5 H9 N2 O5 P |
| Calculated formula | C5 H9 N2 O5 P |
| SMILES | P(=O)(O)([O-])CC(=O)O.[nH]1c[nH+]cc1 |
| Title of publication | Ring templated nanochannel architecture of imidazolium phosphonoacetate |
| Authors of publication | Videnova-Adrabińska, Veneta |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2002 |
| Journal volume | 12 |
| Journal issue | 10 |
| Pages of publication | 2931 - 2935 |
| a | 5.318 ± 0.001 Å |
| b | 15.358 ± 0.002 Å |
| c | 10.804 ± 0.002 Å |
| α | 90° |
| β | 95.65 ± 0.02° |
| γ | 90° |
| Cell volume | 878.1 ± 0.3 Å3 |
| Cell temperature | 297 K |
| Ambient diffraction temperature | 297 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for all reflections included in the refinement | 0.065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.88 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7205020.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7205020.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
7205020.cif |
| 132228 | 2015-02-21 | cif/7/20/ (antanas@koala.ibt.lt) Updating bibliography for CIF 7205020. |
7205020.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7205020.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205020.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205020.cif |
| 11752 | 2011-02-18 | cif/7/ Redepositing RSC CIFs that were formally processed with an old version of cif_fix_values script. |
7205020.cif |
| 4056 | 2010-12-16 | ../uploads/cif-deposit/cod/cif Adding structures of 7205020 via cif-deposit CGI script. |
7205020.cif |
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Users of the data should acknowledge the original authors of the
structural data.