Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7104232
Preview
Coordinates | 7104232.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H40 La N7 O11 Ti |
---|---|
Calculated formula | C46 H40 La N7 O11 Ti |
SMILES | [Ti]12345[O](c6c(O4)cccc6C=[N]4NC(=[O]6)c7ccccc7)[La]46789%10([O]1c1c(O2)cccc1C=[N]7NC(=[O]8)c1ccccc1)([O]5c1c(O3)cccc1C=[N]9N=C(O%10)c1ccccc1)[O]=CN(C)C.OC |
Title of publication | Self-assembly of heterodinuclear triple-stranded helicates: control by coordination number and charge. |
Authors of publication | Albrecht, Markus; Liu, Yufeng; Zhu, Sascha S; Schalley, Christoph A; Fröhlich, Roland |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2009 |
Journal volume | 34 |
Journal issue | 10 |
Pages of publication | 1195 - 1197 |
a | 12.0557 ± 0.0003 Å |
b | 13.5293 ± 0.0003 Å |
c | 14.6211 ± 0.0004 Å |
α | 87.912 ± 0.001° |
β | 84.021 ± 0.001° |
γ | 65.24 ± 0.001° |
Cell volume | 2153.7 ± 0.09 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0582 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.0849 |
Weighted residual factors for all reflections included in the refinement | 0.0928 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/7104232.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.