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Information card for entry 1505481
Preview
Coordinates | 1505481.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C538 H402 K18 N34 O38 Yb6 |
---|---|
Calculated formula | C538 H402 K18 N34 O38 Yb6 |
SMILES | [Yb]12345[O]6[K]([O]3c3c(c7c([O]2[K]([O]5c2c(c5c([O]4[K]([O]1c1c(c4c6ccc6ccccc46)c4ccccc4cc1)([n]1ccccc1)[n]1ccccc1)ccc1ccccc51)c1ccccc1cc2)[n]1ccccc1)ccc1ccccc71)c1ccccc1cc3)([n]1ccccc1)[n]1ccccc1.n1ccccc1.[Yb]12345[O]6[K]([O]3c3c(c7c([O]2[K]([O]5c2c(c5c([O]4[K]([O]1c1c(c4c6ccc6ccccc46)c4ccccc4cc1)([n]1ccccc1)[O]1CCCC1)ccc1ccccc51)c1ccccc1cc2)([n]1ccccc1)[n]1ccccc1)ccc1ccccc71)c1ccccc1cc3)([n]1ccccc1)[n]1ccccc1 |
Title of publication | Impact of Na- and K-C pi-interactions on the structure and binding of M3(sol)n(BINOLate)3Ln catalysts. |
Authors of publication | Wooten, Alfred J.; Carroll, Patrick J.; Walsh, Patrick J. |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 17 |
Pages of publication | 3359 - 3362 |
a | 26.793 ± 0.003 Å |
b | 26.793 ± 0.003 Å |
c | 55.967 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 34794 ± 6 Å3 |
Cell temperature | 143 ± 1 K |
Ambient diffraction temperature | 143 ± 1 K |
Number of distinct elements | 6 |
Space group number | 145 |
Hermann-Mauguin space group symbol | P 32 |
Hall space group symbol | P 32 |
Residual factor for all reflections | 0.0904 |
Residual factor for significantly intense reflections | 0.074 |
Weighted residual factors for significantly intense reflections | 0.1861 |
Weighted residual factors for all reflections included in the refinement | 0.2001 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1505481.html
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Users of the data should acknowledge the original authors of the
structural data.