Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2221073
Preview
Coordinates | 2221073.cif |
---|---|
Structure factors | 2221073.hkl |
Original IUCr paper | HTML |
Chemical name | Hexakis(2-aminopyridinium) di-μ~6~-oxido-tetra-μ~3~-oxido- tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) dihydrate |
---|---|
Formula | C30 H46 N12 O30 V10 |
Calculated formula | C30 H46 N12 O30 V10 |
SMILES | c1(cccc[nH+]1)N.c1(cccc[nH+]1)N.Nc1[nH+]cccc1.[O]12[V]345(O[V]678([O]9%10%113[V]3%12([O]%13[V]%14%15%16([O]%17%18%19%20[V]%21%221(O[V]%17(O[V]2%10%18(O6)[O]%12%16)(O%15)(=O)O[V]%20(O%14)(O[V]%11%13%19(O[V]9(O3)(O4)(=O)O8)[O]5%22)(O%21)=O)=O)=O)(=O)O7)=O)=O.O.c1(cccc[nH+]1)N.c1(cccc[nH+]1)N.Nc1[nH+]cccc1.O |
Title of publication | Hexakis(2-aminopyridinium) di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) dihydrate |
Authors of publication | Yuan, Caixia; Lu, Liping; Zhu, Miaoli; Ma, Qi; Wu, Yanbo |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 3 |
Pages of publication | m267 - m268 |
a | 9.84 ± 0.003 Å |
b | 18.18 ± 0.006 Å |
c | 14.299 ± 0.005 Å |
α | 90° |
β | 97.416 ± 0.004° |
γ | 90° |
Cell volume | 2536.6 ± 1.4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0831 |
Residual factor for significantly intense reflections | 0.074 |
Weighted residual factors for significantly intense reflections | 0.1245 |
Weighted residual factors for all reflections included in the refinement | 0.128 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.293 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2221073.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.