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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 H70 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 |
|---|---|---|---|
| 296836 (current) | 2024-12-11 | Corrected the '_atom_site_attached_hydrogens' data item values in entry 4519016 by setting them all to '0' after consulting the original publication. Prior to this change the 'C01H', 'C02H', 'C03H', 'HA', 'HE', 'HF' and 'HG' atom sites were incorrectly marked as having 1 attached hydrogen atom each. |
4519016.cif |
| 268441 | 2021-09-03 | cif/ Adding structures of 4519016 via cif-deposit CGI script. |
4519016.cif |
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