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Information card for entry 4088099
Preview
Coordinates | 4088099.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C70 H50 Eu |
---|---|
Calculated formula | C70 H50 Eu |
SMILES | [c]12([c]3([c]4([c]5([c]1(c1ccccc1)[Eu]16782345[c]2([c]8([c]7([c]6([c]12c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Divalent Tetra- and Penta-phenylcyclopentadienyl Europium and Samarium Sandwich and Half-Sandwich Complexes: Synthesis, Characterization, and Remarkable Luminescence Properties |
Authors of publication | Kelly, Rory P.; Bell, Toby D. M.; Cox, Rosalind P.; Daniels, Daisy P.; Deacon, Glen B.; Jaroschik, Florian; Junk, Peter C.; Le Goff, Xavier F.; Lemercier, Gilles; Martinez, Agathe; Wang, Jun; Werner, Daniel |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 23 |
Pages of publication | 5624 |
a | 10.425 ± 0.002 Å |
b | 13.463 ± 0.003 Å |
c | 18.07 ± 0.004 Å |
α | 90° |
β | 95.39 ± 0.03° |
γ | 90° |
Cell volume | 2524.9 ± 0.9 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0733 |
Residual factor for significantly intense reflections | 0.0526 |
Weighted residual factors for significantly intense reflections | 0.1243 |
Weighted residual factors for all reflections included in the refinement | 0.1383 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.7108 Å |
Diffraction radiation type | Synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.