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Information card for entry 4000328
Preview
| Coordinates | 4000328.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H118 Al6 Fe3 N16 O65 P12 |
|---|---|
| Calculated formula | C24 Al6 Fe3 N16 O65 P12 |
| Title of publication | Tetrahedrally Coordinated Iron(II) Incorporation in the Super-Sodalite Aluminophosphate Fe~3~Al~6~(PO~4~)~12~·4tren·17H~2~O (MIL-74) |
| Authors of publication | Beitone, Lionel; Loiseau, Thierry; Millange, Franck; Huguenard, Clarisse; Fink, Gerhard; Taulelle, Francis; Grenèche, Jean-Marc; Férey, Gérard |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2003 |
| Journal volume | 15 |
| Journal issue | 24 |
| Pages of publication | 4590 - 4597 |
| a | 16.7705 ± 0.0001 Å |
| b | 16.7705 ± 0.0001 Å |
| c | 16.7705 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4716.7 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 217 |
| Hermann-Mauguin space group symbol | I -4 3 m |
| Hall space group symbol | I -4 2 3 |
| Residual factor for all reflections | 0.0328 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0991 |
| Weighted residual factors for all reflections included in the refinement | 0.0993 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.252 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178243 (current) | 2016-03-17 | cif/ (antanas@echidna.ibt.lt) Adding full bibliography and additional information from the original publication for entry 4000328. Marking entry 1101170 as a duplicate of entry 4000328. |
4000328.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4000328.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
4000328.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4000328.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. |
4000328.cif |
| 20 | 2008-01-26 | Removing white space at the end of all lines from all COD CIF files: in the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\s+\n$/\n/' |
4000328.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4000328.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4000328.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4000328.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4000328.cif |
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Users of the data should acknowledge the original authors of the
structural data.