Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7038680
Preview
Coordinates | 7038680.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C106 H137 Lu3 N6 |
---|---|
Calculated formula | C106 H137 Lu3 N6 |
SMILES | [Lu]12345([CH3][Lu]678([CH3][Lu]9([N](=C(N9c9c(cccc9C(C)C)C(C)C)c9ccccc9)c9c(cccc9C(C)C)C(C)C)([CH3]36)([CH3]1)[C]48(C)=C5c1ccccc1)[N](=C(N7c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)[N](=C(N2c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C |
Title of publication | Small molecule activation by mixed methyl/methylidene rare earth metal complexes. |
Authors of publication | Hong, Jianquan; Li, Zhenhua; Chen, Zhening; Weng, Linhong; Zhou, Xigeng; Zhang, Lixin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 15 |
Pages of publication | 6641 - 6649 |
a | 18.234 ± 0.006 Å |
b | 18.459 ± 0.006 Å |
c | 22.201 ± 0.007 Å |
α | 78.852 ± 0.004° |
β | 81.612 ± 0.005° |
γ | 60.927 ± 0.004° |
Cell volume | 6396 ± 4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0871 |
Residual factor for significantly intense reflections | 0.0538 |
Weighted residual factors for significantly intense reflections | 0.1351 |
Weighted residual factors for all reflections included in the refinement | 0.149 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
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/7038680.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.