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Information card for entry 2105759
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| Coordinates | 2105759.cif |
|---|---|
| Structure factors | 2105759.hkl |
| Original IUCr paper | HTML |
| Formula | C9 H28 O20 P3 U1.5 |
|---|---|
| Calculated formula | C9 H27 O20 P3 U1.5 |
| Title of publication | Metal-organic frameworks based on uranyl and phosphonate ligands |
| Authors of publication | Monteiro, Bernardo; Fernandes, José A.; Pereira, Cláudia C. L.; Vilela, Sérgio M. F.; Tomé, João P. C.; Marçalo, Joaquim; Almeida Paz, Filipe A. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | 28 - 36 |
| a | 8.7982 ± 0.0003 Å |
| b | 11.8876 ± 0.0004 Å |
| c | 12.6446 ± 0.0004 Å |
| α | 95.219 ± 0.002° |
| β | 106.752 ± 0.002° |
| γ | 96.98 ± 0.002° |
| Cell volume | 1245.89 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0267 |
| Residual factor for significantly intense reflections | 0.0205 |
| Weighted residual factors for significantly intense reflections | 0.0393 |
| Weighted residual factors for all reflections included in the refinement | 0.0414 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181876 (current) | 2016-04-06 | hkl/2/10/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/10/57. |
2105759.cif 2105759.hkl |
| 180915 | 2016-04-02 | hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/57. |
2105759.cif 2105759.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2105759.cif 2105759.hkl |
| 104720 | 2014-03-11 | cif/ hkl/ Adding structures of 2105757, 2105758, 2105759 via cif-deposit CGI script. |
2105759.cif 2105759.hkl |
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Users of the data should acknowledge the original authors of the
structural data.