Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2232146
Preview
Coordinates | 2232146.cif |
---|---|
Structure factors | 2232146.hkl |
Original IUCr paper | HTML |
Chemical name | Tetrakis(μ~3~-9-oxa-10-boraanthracen-10-olato)tetrakis[(diethyl ether)lithium] |
---|---|
Formula | C64 H72 B4 Li4 O12 |
Calculated formula | C64 H72 B4 Li4 O12 |
SMILES | [Li]12([O]3([Li]4([O]1([Li]1([O]4([Li]3([O]21B1c2c(Oc3c1cccc3)cccc2)[O](CC)CC)B1c2c(Oc3c1cccc3)cccc2)[O](CC)CC)B1c2c(Oc3c1cccc3)cccc2)[O](CC)CC)B1c2c(Oc3c1cccc3)cccc2)[O](CC)CC |
Title of publication | Tetrakis(μ~3~-9-oxa-10-boraanthracen-10-olato)tetrakis[(diethyl ether)lithium] |
Authors of publication | Franz, Daniel; Lerner, Hans-Wolfram; Büttner, Dominik; Bolte, Michael |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 11 |
Pages of publication | m1525 |
a | 21.4805 ± 0.0008 Å |
b | 17.6053 ± 0.001 Å |
c | 17.5723 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6645.3 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0914 |
Residual factor for significantly intense reflections | 0.0773 |
Weighted residual factors for significantly intense reflections | 0.195 |
Weighted residual factors for all reflections included in the refinement | 0.2036 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2232146.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.