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Information card for entry 4080258
Preview
Coordinates | 4080258.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H39 B F4 N2 O |
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Calculated formula | C27 H39 B F4 N2 O |
SMILES | Oc1c([NH+]=C(C=C(Nc2c(cccc2C(C)C)C(C)C)C)C)cc(cc1)C(C)(C)C.[B](F)(F)(F)[F-] |
Title of publication | Synthesis ofN-Aryloxy-β-diketiminate Ligands and Coordination to Zirconium, Ytterbium, Thorium, and Uranium |
Authors of publication | Dulong, Florian; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 5 |
Pages of publication | 1328 |
a | 16.1246 ± 0.0013 Å |
b | 10.6141 ± 0.0011 Å |
c | 34.007 ± 0.003 Å |
α | 90° |
β | 100.304 ± 0.006° |
γ | 90° |
Cell volume | 5726.4 ± 0.9 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1662 |
Residual factor for significantly intense reflections | 0.0608 |
Weighted residual factors for significantly intense reflections | 0.1192 |
Weighted residual factors for all reflections included in the refinement | 0.1472 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4080258.html
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