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Information card for entry 2233610
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| Coordinates | 2233610.cif |
|---|---|
| Structure factors | 2233610.hkl |
| Original IUCr paper | HTML |
| Chemical name | Nonaaquapraseodymium triiodide‒thiourea (1/2) |
|---|---|
| Formula | C2 H26 I3 N4 O9 Pr S2 |
| Calculated formula | C2 H26 I3 N4 O9 Pr S2 |
| SMILES | C(=S)(N)N.[I-].[I-].[OH2][Pr]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].C(=S)(N)N.[I-] |
| Title of publication | Nonaaquapraseodymium triiodide‒thiourea (1/2) |
| Authors of publication | Antonenko, Taisia A.; Alikberova, Lyudmila Yu.; Albov, Dmitry V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | m110 |
| a | 24.934 ± 0.018 Å |
| b | 8.439 ± 0.003 Å |
| c | 14.143 ± 0.008 Å |
| α | 90° |
| β | 124.68 ± 0.05° |
| γ | 90° |
| Cell volume | 2447 ± 3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0555 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0896 |
| Weighted residual factors for all reflections included in the refinement | 0.0998 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.56085 Å |
| Diffraction radiation type | Agkα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194525 (current) | 2017-03-25 | cif/2/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 2000207, 2000385, 2006935, 2009948, 2100018, 2101471, 2101732, 2101768, 2101794, 2102426, 2103365, 2230751, 2233610. |
2233610.cif 2233610.hkl |
| 181258 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/36. |
2233610.cif 2233610.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233610.cif 2233610.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233610.cif 2233610.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233610.cif 2233610.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233610.cif 2233610.hkl |
| 38414 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233610 via cif-deposit CGI script. |
2233610.cif |
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Users of the data should acknowledge the original authors of the
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