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Information card for entry 2104014
Preview
| Coordinates | 2104014.cif |
|---|---|
| Original IUCr paper | HTML |
| 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 |
Version history
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Users of the data should acknowledge the original authors of the
structural data.