Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036316
Preview
Coordinates | 7036316.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H81 Mo6 N5 O18 |
---|---|
Calculated formula | C40 H81 Mo6 N5 O18 |
SMILES | [Mo]1234(O[Mo]567(=O)O[Mo]89(=O)(O[Mo]%10%11(=O)(O[Mo]%12(=O)(O[Mo](=O)(O%10)(O1)(O8)[O]479%11%12)(O3)O6)O5)O2)=Nc1ncccc1C.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.N#CC |
Title of publication | Postfunctionalization of polyoxometalates: an efficient strategy to construct organic-inorganic zwitterions. |
Authors of publication | Lv, Chunlin; Hu, Junjie; Khan, Rao Naumaan Nasim; Zhang, Jin; Wei, Yongge |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 38 |
Pages of publication | 16698 - 16702 |
a | 15.7964 ± 0.0015 Å |
b | 19.5355 ± 0.0014 Å |
c | 20.3243 ± 0.0016 Å |
α | 112.383 ± 0.007° |
β | 98.552 ± 0.007° |
γ | 96.467 ± 0.007° |
Cell volume | 5635.8 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1068 |
Residual factor for significantly intense reflections | 0.0753 |
Weighted residual factors for significantly intense reflections | 0.1677 |
Weighted residual factors for all reflections included in the refinement | 0.1895 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.491 |
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/7036316.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.