Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7040639
Preview
Coordinates | 7040639.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H58 N2 Si2 U |
---|---|
Calculated formula | C35 H58 N2 Si2 U |
SMILES | [c]12([c]3([c]4([c]5([c]1(C)[U]167892345([c]2([c]1([c]6([c]7([c]82C)C)C)C)C)([C](#[C]9[Si](C)(C)C)[Si](C)(C)C)[n]1ccc(cc1)N(C)C)C)C)C)C |
Title of publication | Intrinsic reactivity of a uranium metallacyclopropene toward unsaturated organic molecules. |
Authors of publication | Zhang, Lei; Fang, Bo; Hou, Guohua; Ai, Lin; Ding, Wanjian; Walter, Marc D.; Zi, Guofu |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 41 |
Pages of publication | 16441 - 16452 |
a | 19.17 ± 0.02 Å |
b | 19.61 ± 0.03 Å |
c | 20.3 ± 0.03 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7631 ± 18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0823 |
Residual factor for significantly intense reflections | 0.0434 |
Weighted residual factors for significantly intense reflections | 0.0925 |
Weighted residual factors for all reflections included in the refinement | 0.1067 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
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/7040639.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.