Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7218062
Preview
Coordinates | 7218062.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H44 Cu2 Mo8 N12 O28 |
---|---|
Calculated formula | C48 H40 Cu2 Mo8 N12 O26 |
SMILES | [O]12[Mo]34(=O)(O[Mo]56(O[Mo]78(=O)([O]9[Mo]%10%11(=O)([O]%12%13%14[Mo]%151(=O)(O[Mo]%14(=O)(O[Mo]2%12(=O)([O]4[Mo]9%13(=O)([O]357%15)O6)=O)(=[O][Cu]123[n]4ccccc4c4ccn(Cc5ccccc5Cn5[n]2c(cc5)c2[n]3cccc2)[n]14)O%11)[O]8%10)=O)=O)(=[O][Cu]123[n]4ccccc4c4ccn(Cc5ccccc5Cn5[n]2c(cc5)c2[n]3cccc2)[n]14)=O)=O |
Title of publication | Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands |
Authors of publication | Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 43 |
Pages of publication | 10017 |
a | 10.4332 ± 0.0002 Å |
b | 15.1148 ± 0.0003 Å |
c | 20.2219 ± 0.0005 Å |
α | 90° |
β | 109.501 ± 0.002° |
γ | 90° |
Cell volume | 3005.98 ± 0.12 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0354 |
Residual factor for significantly intense reflections | 0.0259 |
Weighted residual factors for significantly intense reflections | 0.0604 |
Weighted residual factors for all reflections included in the refinement | 0.0658 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
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/7218062.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.