Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7200600
Preview
Coordinates | 7200600.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H40 Cu N18 O12 |
---|---|
Calculated formula | C40 H40 Cu N18 O12 |
SMILES | N(=O)(=O)[O-].O.[OH2][Cu]12([n]3cn(nc3)Cc3cccc(c4nnc(c5cccc(Cn6c[n]1cn6)c5)o4)c3)([n]1cn(nc1)Cc1cccc(c3nnc(c4cccc(Cn5c[n]2cn5)c4)o3)c1)[OH2].N(=O)(=O)[O-].O |
Title of publication | Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand |
Authors of publication | Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi |
Journal of publication | CrystEngComm |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 7 |
Pages of publication | 1281 |
a | 8.335 ± 0.002 Å |
b | 12.075 ± 0.003 Å |
c | 12.621 ± 0.003 Å |
α | 69.886 ± 0.003° |
β | 78.08 ± 0.004° |
γ | 70.235 ± 0.003° |
Cell volume | 1116.6 ± 0.5 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.059 |
Residual factor for significantly intense reflections | 0.0499 |
Weighted residual factors for significantly intense reflections | 0.1156 |
Weighted residual factors for all reflections included in the refinement | 0.1218 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/7200600.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.