Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036901
Preview
Coordinates | 7036901.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H63 Eu N5 O2 |
---|---|
Calculated formula | C44 H63 Eu N5 O2 |
SMILES | [Eu]123([O](CC[O]1C)C)([N](=C(C)C=C(N2c1c(cccc1C)C)C)c1c(cccc1C)C)[N](=C(N3c1ccccc1)NC1CCCCC1)C1CCCCC1 |
Title of publication | Catalytic addition of amines to carbodiimides by bis(β-diketiminate)lanthanide(ii) complexes and mechanistic studies. |
Authors of publication | Xue, Mingqiang; Zheng, Yu; Hong, Yubiao; Yao, Yingming; Xu, Fan; Zhang, Yong; Shen, Qi |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 46 |
Pages of publication | 20075 - 20086 |
a | 10.676 ± 0.002 Å |
b | 16.511 ± 0.004 Å |
c | 24.986 ± 0.006 Å |
α | 90° |
β | 93.886 ± 0.004° |
γ | 90° |
Cell volume | 4394.2 ± 1.7 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.0845 |
Residual factor for significantly intense reflections | 0.0594 |
Weighted residual factors for significantly intense reflections | 0.1298 |
Weighted residual factors for all reflections included in the refinement | 0.1444 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
Diffraction radiation wavelength | 0.71075 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/7036901.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.