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Information card for entry 4316826
Preview
| Coordinates | 4316826.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Sm(dmpbipy)(NO3)3(DMSO)] |
|---|---|
| Formula | C17 H20 N7 O10 S Sm |
| Calculated formula | C17 H20 N7 O10 S Sm |
| SMILES | [Sm]12345(ON(=[O]2)=O)([n]2c(cccc2n2[n]1c(cc2C)C)c1[n]5cccc1)(ON(=[O]3)=O)(ON(=[O]4)=O)[O]=S(C)C |
| Title of publication | 6-(3,5-Dimethyl-1H-pyrazol-1-yl)-2,2'-bipyridine as Ligand for Actinide(III)/Lanthanide(III) Separation |
| Authors of publication | Denise Girnt; Peter W. Roesky; Andreas Geist; Christian M. Ruff; Petra J. Panak; Melissa A. Denecke |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 9627 - 9635 |
| a | 9.4637 ± 0.0019 Å |
| b | 10.825 ± 0.002 Å |
| c | 11.554 ± 0.002 Å |
| α | 85.3 ± 0.03° |
| β | 86.3 ± 0.03° |
| γ | 88.61 ± 0.03° |
| Cell volume | 1177 ± 0.4 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0358 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Weighted residual factors for all reflections included in the refinement | 0.077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179248 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/68. |
4316826.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316826.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316826.cif |
| 10334 | 2011-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4316826 via cif-deposit CGI script. |
4316826.cif |
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Users of the data should acknowledge the original authors of the
structural data.