Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1557097
Preview
Coordinates | 1557097.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H102 Gd K N3 O12 Si6 |
---|---|
Calculated formula | C42 H102 Gd K N3 O12 Si6 |
SMILES | C[Si](C)(N([Gd](N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C.[K]12345([O]6CCOCCOCCOCCOCC[O]1CC6)[O]1CC[O]5CC[O]4CC[O]3CC[O]2CCOCC1 |
Title of publication | The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions |
Authors of publication | Ryan, Austin J.; Ziller, Joseph W.; Evans, William J. |
Journal of publication | Chemical Science |
Year of publication | 2020 |
Journal volume | 11 |
Journal issue | 7 |
Pages of publication | 2006 - 2014 |
a | 11.1493 ± 0.0011 Å |
b | 27.059 ± 0.003 Å |
c | 21.755 ± 0.002 Å |
α | 90° |
β | 104.007 ± 0.0013° |
γ | 90° |
Cell volume | 6368.1 ± 1.1 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0623 |
Residual factor for significantly intense reflections | 0.0466 |
Weighted residual factors for significantly intense reflections | 0.0904 |
Weighted residual factors for all reflections included in the refinement | 0.0953 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1557097.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.