Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4105212
Preview
Coordinates | 4105212.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Yb(HBPh3)2THF |
---|---|
Chemical name | bis(hydridotriphenylborato)tetrahydrofuran ytterbium(II) |
Formula | C47 H48 B2 O Yb |
Calculated formula | C47 H48 B2 O Yb |
SMILES | [B]12([H][Yb]3([C]4(=CC=CC=C4)[BH]([C]43=CC=CC=C4)c3ccccc3)([C]31=CC=CC=C3)([C]12=CC=CC=C1)[O]1CCCC1)c1ccccc1.c1ccccc1C |
Title of publication | Lewis Acid-Mediated β-Hydride Abstraction Reactions of Divalent M(C(SiHMe2)3)2THF2(M = Ca, Yb) |
Authors of publication | KaKing Yan; Brianna M. Upton; Arkady Ellern; Aaron D. Sadow |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 15110 - 15111 |
a | 10.2093 ± 0.0008 Å |
b | 15.3491 ± 0.0012 Å |
c | 24.6786 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3867.2 ± 0.5 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0279 |
Residual factor for significantly intense reflections | 0.024 |
Weighted residual factors for significantly intense reflections | 0.0544 |
Weighted residual factors for all reflections included in the refinement | 0.0559 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4105212.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.