Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7200544
Preview
Coordinates | 7200544.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H33 Cu N3 O5 |
---|---|
Calculated formula | C26 H33 Cu N3 O5 |
SMILES | [Cu]123([N](=Cc4c(c(OCC)ccc4)O2)[C@@H]2CCCC[C@H]2[N]1=Cc1c(c(OCC)ccc1)O3)[OH2].N#CC |
Title of publication | Hierarchical multicomponent assembly utilizing sequential metal‒ligand and hydrogen-bonding interactions |
Authors of publication | Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia |
Journal of publication | CrystEngComm |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 4 |
Pages of publication | 657 - 662 |
a | 5.5583 ± 0.0002 Å |
b | 20.5367 ± 0.0006 Å |
c | 10.824 ± 0.0003 Å |
α | 90° |
β | 103.482 ± 0.001° |
γ | 90° |
Cell volume | 1201.5 ± 0.07 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0328 |
Residual factor for significantly intense reflections | 0.0227 |
Weighted residual factors for all reflections | 0.0273 |
Weighted residual factors for significantly intense reflections | 0.024 |
Weighted residual factors for all reflections included in the refinement | 0.024 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
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/7200544.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.