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Information card for entry 2102130
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| Coordinates | 2102130.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Dehydrated Ca-A zeolite |
|---|---|
| Formula | Al96 Ca48 O384 Si96 |
| Calculated formula | Al96 Ca25.088 O384 Si96 |
| Title of publication | Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data |
| Authors of publication | Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 5 |
| Pages of publication | 766 - 772 |
| a | 24.47 Å |
| b | 24.47 Å |
| c | 24.47 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 14652 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin space group symbol | F -4 3 c |
| Hall space group symbol | F -4c 2 3 |
| Residual factor for all reflections | 0.07 |
| Residual factor for significantly intense reflections | 0.07 |
| Weighted residual factors for all reflections | 0.0667 |
| Weighted residual factors for significantly intense reflections | 0.0667 |
| Goodness-of-fit parameter for all reflections | 2.45 |
| Goodness-of-fit parameter for significantly intense reflections | 2.45 |
| Diffraction radiation wavelength | 0.248 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281832 (current) | 2023-03-13 | cod/ (saulius@tasmanijos-velnias) Updating 15 COD entries: - Adding symmetry operator fixes by Steef Boerrigter; - Marking '_geom_...._symmetry_...' data items as unknown (value '?'); - converting _cod_depositor_comments to the structured _cod_changelog_... loop; - fixing several issues reported by CIF validators ('cif_validate', 'ddlm_validate') and by 'cif_cod_check. All details of the changes are given in the _cod_changelog_... and _cod_entry_issue_... loops. |
2102130.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. |
2102130.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. |
2102130.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2102130.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2102130.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. |
2102130.cif |
| 340 | 2008-04-05 | Fixing CIF files headers in the CIF files from the Acta-Cryst-B/ retrospecive deposition. |
2102130.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. |
2102130.cif |
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Users of the data should acknowledge the original authors of the
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