Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4123175
Preview
Coordinates | 4123175.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H39 Si3 Yb |
---|---|
Calculated formula | C24 H39 Si3 Yb |
SMILES | [Yb]123456789%10%11%12([cH]%13[cH]1[cH]2[cH]3[c]4%13[Si](C)(C)C)([cH]1[cH]5[cH]6[cH]7[c]81[Si](C)(C)C)[cH]1[cH]9[cH]%10[cH]%11[c]%121[Si](C)(C)C |
Title of publication | Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+). |
Authors of publication | Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 1 |
Pages of publication | 369 - 382 |
a | 8.1548 ± 0.0008 Å |
b | 22.333 ± 0.002 Å |
c | 28.58 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5205 ± 0.9 Å3 |
Cell temperature | 138 ± 2 K |
Ambient diffraction temperature | 138 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0263 |
Residual factor for significantly intense reflections | 0.0211 |
Weighted residual factors for significantly intense reflections | 0.0487 |
Weighted residual factors for all reflections included in the refinement | 0.051 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/4123175.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.