Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4314311
Preview
Coordinates | 4314311.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H10 K N2 O4 S2 V |
---|---|
Calculated formula | C9 H10 K N2 O4 S2 V |
SMILES | [V]12(SC(SC)=N[N]2=Cc2c(O1)cccc2)(=O)=O.[K+].O |
Title of publication | Adduct Formation between Alkali Metal Ions and Anionic LVVO2- (L2- = Tridentate ONS Ligands) Species: Syntheses, Structural Investigation, and Photochemical Studies |
Authors of publication | Satyabrata Samanta; Suman Mukhopadhyay; Debdas Mandal; Ray J. Butcher; Muktimoy Chaudhury |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 6284 - 6293 |
a | 6.5705 ± 0.0009 Å |
b | 13.5065 ± 0.0018 Å |
c | 31.332 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2780.5 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0439 |
Residual factor for significantly intense reflections | 0.0339 |
Weighted residual factors for significantly intense reflections | 0.0869 |
Weighted residual factors for all reflections included in the refinement | 0.0927 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
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/4314311.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.