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Information card for entry 4088097
Preview
Coordinates | 4088097.cif |
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Original paper (by DOI) | HTML |
Formula | C45 H53 I O4 Sm |
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Calculated formula | C45 H53 I O4 Sm |
SMILES | [Sm]1234(I)([O]5CCCC5)([O]5CCCC5)([O]5CCCC5)[c]5([cH]3[c]1([c]2([c]45c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.O1CCCC1 |
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 | 21.583 ± 0.004 Å |
b | 10.701 ± 0.002 Å |
c | 17.66 ± 0.004 Å |
α | 90° |
β | 104.45 ± 0.03° |
γ | 90° |
Cell volume | 3949.7 ± 1.5 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.039 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.0774 |
Weighted residual factors for all reflections included in the refinement | 0.0842 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | Synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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