Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1549770
Preview
Coordinates | 1549770.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H32 P Si2 Tm |
---|---|
Calculated formula | C20 H32 P Si2 Tm |
SMILES | [Tm]123456789%10%11([p]%12[c]%11([Si](C)(C)C)[c]%10([c]9([c]8%12[Si](C)(C)C)C)C)[CH]8=[CH]1[CH]2=[CH]3[CH]4=[CH]5[CH]6=[CH]78 |
Title of publication | A soft phosphorus atom to "harden" an erbium(iii) single-ion magnet. |
Authors of publication | Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 38 |
Pages of publication | 7540 - 7545 |
a | 15.0719 ± 0.0008 Å |
b | 10.8053 ± 0.0006 Å |
c | 14.3183 ± 0.0009 Å |
α | 90° |
β | 95.125 ± 0.005° |
γ | 90° |
Cell volume | 2322.5 ± 0.2 Å3 |
Cell temperature | 180 ± 0.1 K |
Ambient diffraction temperature | 180 ± 0.1 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 | 0.0775 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.0594 |
Weighted residual factors for all reflections included in the refinement | 0.0723 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71 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/1549770.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.