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Information card for entry 7201039
Preview
| Coordinates | 7201039.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Ammonium trisodium tris(2,2?-oxydiacetato)- praseodymium(iii)tiocyanate tetraahydrate |
|---|---|
| Chemical name | Ammonium trisodium tris(2,2?-oxydiacetato)-praseodymium(III)tiocyanate tetraahydrate |
| Formula | C13 H24 N2 Na3 O19 Pr S |
| Calculated formula | C13 H12 N2 Na3 O19 Pr S |
| SMILES | C1(=O)C[O]2CC(=O)O[Pr]34562(O1)(OC(=O)C[O]3CC(=O)O4)OC(=O)C[O]5CC(=O)O6.C(#N)[S-].O.O.O.O.[NH4+].[Na+].[Na+].[Na+] |
| Title of publication | Total spontaneous resolution of nine-coordinate complexes |
| Authors of publication | Lennartson, Anders; Håkansson, Mikael |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 9 |
| Pages of publication | 1979 |
| a | 9.1741 ± 0.0011 Å |
| b | 9.3387 ± 0.0016 Å |
| c | 17.7642 ± 0.0016 Å |
| α | 83.75 ± 0.02° |
| β | 72.724 ± 0.01° |
| γ | 86.44 ± 0.02° |
| Cell volume | 1443.9 ± 0.3 Å3 |
| Cell temperature | 289 ± 2 K |
| Ambient diffraction temperature | 289 ± 2 K |
| Ambient diffracton pressure | 105 kPa |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0374 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0941 |
| Weighted residual factors for all reflections included in the refinement | 0.0951 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180341 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/10. |
7201039.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201039.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201039.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201039.cif |
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