Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8102006
Preview
Coordinates | 8102006.cif |
---|
Chemical name | ethanolammonium dioxo-(N-(2-ethanolato)-2-oxy-3-methoxybenzaldiminato-O,N,O')vanadate(V) |
---|---|
Formula | C12 H19 N2 O6 V |
Calculated formula | C12 H19 N2 O6 V |
SMILES | [V]12(Oc3c(OC)cccc3C=[N]2CCO1)(=O)=O.[NH3+]CCO |
Title of publication | Crystal structure of ethanolammonium dioxo-(N-(2-ethanolato)-2-oxy- 3-methoxybenzaldiminato-O,N,O')-vanadate(V), (NH~3~CH~2~CH~2 ~OH) [VO~2~{(C~6~H~4~(OCH~3~)(O)CHNCCH~2~CH~2~O}] |
Authors of publication | Feng, J.-N.; Zhou, Y.-Z.; Zhu, H.-J.; Tu, S.-J. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2006 |
Journal volume | 221 |
Journal issue | 3 |
Pages of publication | 343 - 344 |
a | 8.9863 ± 0.0015 Å |
b | 13.168 ± 0.002 Å |
c | 13.243 ± 0.002 Å |
α | 90° |
β | 108.677 ± 0.002° |
γ | 90° |
Cell volume | 1484.5 ± 0.4 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 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 | 0.0446 |
Residual factor for significantly intense reflections | 0.0312 |
Weighted residual factors for significantly intense reflections | 0.0758 |
Weighted residual factors for all reflections included in the refinement | 0.0834 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/8102006.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.