Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7032610
Preview
Coordinates | 7032610.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H58 Mo8 N24 O37 |
---|---|
Calculated formula | C40 H46 Mo8 N24 O37 |
SMILES | c1c(c[n]([nH]1)[Mo]12([O]3[Mo]456([O]78[Mo]3(O2)(=O)(O[Mo]8(O5)([O]2[Mo]357([O]7[Mo]8([O]63[Mo]([O]14)(=O)(=O)(O5)O8)(O[Mo]27([n]1cc(c[nH]1)c1[nH]nc(c2c[nH+]ccc2)n1)(=O)=O)(=O)=O)=O)(=O)=O)=O)=O)(=O)=O)c1[nH]nc(c2c[nH+]ccc2)n1.[nH]1ncc(c1)c1[nH]nc(c2c[nH+]ccc2)n1.O.O.O.O.O.O.[nH]1ncc(c1)c1[nH]nc(c2c[nH+]ccc2)n1.O.O.O.O.O |
Title of publication | A polyoxometalate-based complex with visible-light photochromism as the electrocatalyst for generating hydrogen from water. |
Authors of publication | Gong, Yun; Yang, Yong Xi; Zhang, Miao Miao; Gao, Xiao Lin; Yin, Jun Li; Lin, Jian Hua |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 44 |
Pages of publication | 16928 - 16936 |
a | 29.9231 ± 0.0013 Å |
b | 13.3754 ± 0.0007 Å |
c | 19.42 ± 0.0008 Å |
α | 90° |
β | 116.047 ± 0.004° |
γ | 90° |
Cell volume | 6983.1 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0657 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.104 |
Weighted residual factors for all reflections included in the refinement | 0.1182 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7032610.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.