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Information card for entry 4088199
Preview
Coordinates | 4088199.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C80 H65 Al B F20 N2 P |
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Calculated formula | C80 H65 Al B F20 N2 P |
SMILES | [P+](C(=C\[Al]1(N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)C)/c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
Title of publication | A Frustrated Lewis Pair Based on a Cationic Aluminum Complex and Triphenylphosphine |
Authors of publication | Stennett, Tom E.; Pahl, Jürgen; Zijlstra, Harmen S.; Seidel, Falk W.; Harder, Sjoerd |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 2 |
Pages of publication | 207 |
a | 11.0872 ± 0.0003 Å |
b | 17.0047 ± 0.0004 Å |
c | 19.8107 ± 0.0007 Å |
α | 93.536 ± 0.002° |
β | 105.636 ± 0.003° |
γ | 91.5752 ± 0.0018° |
Cell volume | 3586.15 ± 0.19 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0381 |
Residual factor for significantly intense reflections | 0.0339 |
Weighted residual factors for significantly intense reflections | 0.0847 |
Weighted residual factors for all reflections included in the refinement | 0.0881 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4088199.html
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Users of the data should acknowledge the original authors of the
structural data.