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Information card for entry 2104014
Preview
| Coordinates | 2104014.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | AMCSD |
| Common name | AlPO~4~-15 |
|---|---|
| Formula | Al2 H9 N O11 P2 |
| Calculated formula | Al2 H9 N O11 P2 |
| Title of publication | Characterization of intra-framework and guest/host interactions in the AlPO~4~-15 molecular sieve by charge-density analysis |
| Authors of publication | Aubert, Emmanuel; Porcher, Florence; Souhassou, Mohamed; Lecomte, Claude |
| Journal of publication | Acta Crystallographica, Section B: Structural Science |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 6 |
| Pages of publication | 687 - 700 |
| a | 9.556 ± 0.001 Å |
| b | 9.563 ± 0.001 Å |
| c | 9.615 ± 0.001 Å |
| α | 90° |
| β | 103.58 ± 0.01° |
| γ | 90° |
| Cell volume | 854.1 ± 0.2 Å3 |
| Cell temperature | 115 ± 1 K |
| Ambient diffraction temperature | 115 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0102 |
| Residual factor for significantly intense reflections | 0.0102 |
| Weighted residual factors for all reflections | 0.0066 |
| Weighted residual factors for all reflections included in the refinement | 0.0066 |
| Goodness-of-fit parameter for all reflections | 1.652 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.652 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294027 (current) | 2024-08-07 | Updated the '_geom_angle_site_symmetry_1', '_geom_angle_site_symmetry_1' and '_geom_bond_site_symmetry_2' data item values to use an underscore ('_') instead of a dot ('.') as the separator. |
2104014.cif |
| 201917 | 2017-10-11 | cif/ Marking entries 1100107, 2104014 and 9007702 as being relatd to AMCSD entry 0009930. |
2104014.cif |
| 201915 | 2017-10-11 | cif/ (antanas@kurmis) Updating the contents of entry 1100107 and marking it as a duplicate of entry 2104014. |
2104014.cif |
| 201914 | 2017-10-11 | cif/ (antanas@kurmis) Updating bibliography in entries 1100107, 2104014, 9007702. |
2104014.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. |
2104014.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2104014.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2104014.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. |
2104014.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. |
2104014.cif |
| 397 | 2008-06-20 | Adding new CIF files deposited from Acta-Cryst-B-2001-2003/. |
2104014.cif |
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Users of the data should acknowledge the original authors of the
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