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Information card for entry 8000513
Preview
Coordinates | 8000513.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H34 Br3 Eu F9 N3 O8 |
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Calculated formula | C53 H34 Br3 Eu F9 N3 O8 |
SMILES | [Eu]12345([O]=C(C=C(O2)C(F)(F)F)c2ccc(Br)cc2)([O]=C(C=C(O1)C(F)(F)F)c1ccc(Br)cc1)([O]=C(c1ccc(Br)cc1)C=C(O4)C(F)(F)F)[N]1[C@H](c2ccccc2)COC=1c1[n]3c(ccc1)C1OC[C@@H](c2ccccc2)[N]5=1 |
Title of publication | Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines. |
Authors of publication | Okayasu, Yoshinori; Yuasa, Junpei |
Journal of publication | The journal of physical chemistry letters |
Year of publication | 2021 |
Pages of publication | 6867 - 6874 |
a | 10.198 ± 0.004 Å |
b | 10.878 ± 0.004 Å |
c | 12.588 ± 0.005 Å |
α | 98.433 ± 0.006° |
β | 107.288 ± 0.004° |
γ | 98.919 ± 0.004° |
Cell volume | 1289.4 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0224 |
Residual factor for significantly intense reflections | 0.0216 |
Weighted residual factors for significantly intense reflections | 0.0458 |
Weighted residual factors for all reflections included in the refinement | 0.0461 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.86 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
267652 (current) | 2021-07-21 | cif/ Adding structures of 8000513 via cif-deposit CGI script. |
8000513.cif |
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Users of the data should acknowledge the original authors of the
structural data.