Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2233500
Preview
Coordinates | 2233500.cif |
---|---|
Structure factors | 2233500.hkl |
Original IUCr paper | HTML |
Chemical name | {2-[(5-Chloro-2-oxidophenyl)iminomethyl]-4-bromophenolato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}(methanol-κ<i>O</i>)(methanolato- κ<i>O</i>)oxidovanadium(V) |
---|---|
Formula | C15 H14 Br Cl N O5 V |
Calculated formula | C15 H14 Br Cl N O5 V |
SMILES | Brc1ccc2O[V]3(Oc4c([N]3=Cc2c1)cc(Cl)cc4)([OH]C)(OC)=O |
Title of publication | {4-Bromo-2-[(5-chloro-2-oxidophenyl)iminomethyl]phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}(methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxidovanadium(V) |
Authors of publication | Shahverdizadeh, Gholam Hossein; Ng, Seik Weng; Tiekink, Edward R. T.; Mirtamizdoust, Babak |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 2 |
Pages of publication | m221 - m222 |
a | 9.9585 ± 0.0002 Å |
b | 9.8949 ± 0.0002 Å |
c | 17.3612 ± 0.0003 Å |
α | 90° |
β | 100.746 ± 0.002° |
γ | 90° |
Cell volume | 1680.74 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0503 |
Residual factor for significantly intense reflections | 0.0463 |
Weighted residual factors for significantly intense reflections | 0.1262 |
Weighted residual factors for all reflections included in the refinement | 0.1312 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/2233500.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.