Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7228634
Preview
Coordinates | 7228634.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H80 Mo6 N4 O18 |
---|---|
Calculated formula | C43 H80 Mo6 N4 O18 |
SMILES | [Mo]1234([O]5678[Mo]9%10(O1)(O[Mo]16(O4)(=O)O[Mo]47(O3)(O[Mo]5(O2)(O9)(O[Mo]8(O%10)(O1)(O4)=O)=Nc1ccc(cc1)c1ccncc1)=O)=O)=O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC |
Title of publication | Increasing p-type Dye Sensitised Solar Cell Photovoltages using Polyoxometalates |
Authors of publication | El Moll, Hani; Black, Fiona A.; Wood, Christopher J.; Al-Yasari, Ahmed; Marri, Anil Reddy; Sazanovich, Igor V.; Gibson, Elizabeth; Fielden, John |
Journal of publication | Phys. Chem. Chem. Phys. |
Year of publication | 2017 |
a | 11.6722 ± 0.0004 Å |
b | 34.0516 ± 0.0016 Å |
c | 14.1145 ± 0.0006 Å |
α | 90° |
β | 91.962 ± 0.003° |
γ | 90° |
Cell volume | 5606.6 ± 0.4 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0799 |
Residual factor for significantly intense reflections | 0.0428 |
Weighted residual factors for significantly intense reflections | 0.0715 |
Weighted residual factors for all reflections included in the refinement | 0.0789 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation probe | x-ray |
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/7228634.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.