Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4065191
Preview
Coordinates | 4065191.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H57 B2 N12 O3 U |
---|---|
Calculated formula | C43 H57 B2 N12 O3 U |
SMILES | [U]12345([O]=C(O1)C#Cc1ccccc1)([n]1n(c(cc1C)C)[BH](n1[n]2c(cc1C)C)n1[n]3c(cc1C)C)[n]1n(c(cc1C)C)[BH](n1[n]4c(cc1C)C)n1[n]5c(cc1C)C.O1CCCC1 |
Title of publication | Formation of Trivalent U‒C, U‒N, and U‒S Bonds and Their Reactivity toward Carbon Dioxide and Acetone |
Authors of publication | Matson, Ellen M.; Fanwick, Phillip E.; Bart, Suzanne C. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 21 |
Pages of publication | 5753 |
a | 11.8162 ± 0.0013 Å |
b | 13.8657 ± 0.0016 Å |
c | 14.487 ± 0.002 Å |
α | 106.638 ± 0.01° |
β | 93.975 ± 0.011° |
γ | 99.747 ± 0.007° |
Cell volume | 2223.8 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.073 |
Residual factor for significantly intense reflections | 0.065 |
Weighted residual factors for significantly intense reflections | 0.176 |
Weighted residual factors for all reflections included in the refinement | 0.183 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CU-Kα |
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/4065191.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.