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Information card for entry 4519016
Preview
| Coordinates | 4519016.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H70 F42 N4 O12 Sm2 |
|---|---|
| Calculated formula | C74 H77 F42 N4 O12 Sm2 |
| Title of publication | Theoretical Modeling (Sparkle RM1 and PM7) and Crystal Structures of the Luminescent Dinuclear Sm(III) and Eu(III) Complexes of 6,6,7,7,8,8,8- Heptafluoro-2,2-dimethyl-3,5-octanedione and 2,3-Bis(2-pyridyl)pyrazine: Determination of Individual Spectroscopic Parameters for Two Unique Eu<sup>3+</sup> Sites. |
| Authors of publication | Ganaie, Aabid Bashir; Iftikhar, Khalid |
| Journal of publication | ACS omega |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 33 |
| Pages of publication | 21207 - 21226 |
| a | 12.384 ± 0.006 Å |
| b | 19.821 ± 0.009 Å |
| c | 19.834 ± 0.009 Å |
| α | 103.858 ± 0.013° |
| β | 90.682 ± 0.014° |
| γ | 102.42 ± 0.013° |
| Cell volume | 4606 ± 4 Å3 |
| 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 | 0.154 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268441 (current) | 2021-09-03 | cif/ Adding structures of 4519016 via cif-deposit CGI script. |
4519016.cif |
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Users of the data should acknowledge the original authors of the
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