Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7006292
Preview
Coordinates | 7006292.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (2a) (UO2OC6H3-2,6-(C(CH3)3)2HTMG2)*2TOL |
---|---|
Formula | C52 H84 N6 O4 U |
Calculated formula | C52 H84 N6 O4 U |
SMILES | [U](Oc1c(cccc1C(C)(C)C)C(C)(C)C)(Oc1c(cccc1C(C)(C)C)C(C)(C)C)(=O)(=O)([NH]=C(N(C)C)N(C)C)[NH]=C(N(C)C)N(C)C.c1(ccccc1)C.c1(ccccc1)C |
Title of publication | Stable analogs of the uranyl ion containing 1,1,3,3-tetramethylguanidine. |
Authors of publication | Bertke, Jeffrey A.; Bunge, Scott D. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 41 |
Pages of publication | 4647 - 4649 |
a | 23.403 ± 0.003 Å |
b | 11.0272 ± 0.0012 Å |
c | 20.892 ± 0.002 Å |
α | 90° |
β | 103 ± 0.002° |
γ | 90° |
Cell volume | 5253.4 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.056 |
Residual factor for significantly intense reflections | 0.0312 |
Weighted residual factors for significantly intense reflections | 0.0837 |
Weighted residual factors for all reflections included in the refinement | 0.1113 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.788 |
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/7006292.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.