Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7004737
Preview
| Coordinates | 7004737.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Chloridodioxidobis(pyridine N-oxide)vanadium(V) |
|---|---|
| Chemical name | Chloridodioxidobis(pyridine N-oxide)vanadium(V) |
| Formula | C10 H10 Cl N2 O4 V |
| Calculated formula | C10 H10 Cl N2 O4 V |
| SMILES | [V](Cl)([O]=n1ccccc1)([O]=n1ccccc1)(=O)=O |
| Title of publication | Synthesis, chemistry and structures of complexes of the dioxovanadium(v) halides VO2F and VO2Cl |
| Authors of publication | Davis, Martin F.; Jura, Marek; Leung, Alethea; Levason, William; Littlefield, Benjamin; Reid, Gillian; Webster, Michael |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 44 |
| Pages of publication | 6265 - 6273 |
| a | 8.0165 ± 0.0015 Å |
| b | 5.8756 ± 0.001 Å |
| c | 25.701 ± 0.005 Å |
| α | 90° |
| β | 91.897 ± 0.01° |
| γ | 90° |
| Cell volume | 1209.9 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0681 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.098 |
| Weighted residual factors for all reflections included in the refinement | 0.1091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179751 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/47. |
7004737.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004737.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004737.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7004737.cif |
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.