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Information card for entry 1507420
Preview
| Coordinates | 1507420.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H14 F6 N2 O8 S2 Sr |
|---|---|
| Calculated formula | C8 H14 F6 N2 O8 S2 Sr |
| SMILES | C(F)(F)(S(=O)(=O)[O-])F.C(=O)N(C)C.[Sr+2].C(F)(F)(F)S(=O)(=O)[O-].C(=O)N(C)C |
| Title of publication | Solution X-ray Absorption Fine Structure Study of the Eu2+and Sr2+Ions: Unexpected Solvent and Metal Ion Dependencies of the Solvation Numbers |
| Authors of publication | Moreau, Gilles; Scopelliti, Rosario; Helm, Lothar; Purans, Juris; Merbach, André E. |
| Journal of publication | The Journal of Physical Chemistry A |
| Year of publication | 2002 |
| Journal volume | 106 |
| Journal issue | 41 |
| Pages of publication | 9612 |
| a | 11.68 ± 0.001 Å |
| b | 20.5299 ± 0.0018 Å |
| c | 8.0429 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1928.6 ± 0.4 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 72 |
| Hermann-Mauguin space group symbol | I b a m |
| Hall space group symbol | -I 2 2c |
| Residual factor for all reflections | 0.0371 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0907 |
| Weighted residual factors for all reflections included in the refinement | 0.0934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1507420.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507420.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507420.cif |
| 53955 | 2012-04-20 | cif/ Adding structures of 1507420, 1507421, 1507422 via cif-deposit CGI script. |
1507420.cif |
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Users of the data should acknowledge the original authors of the
structural data.