Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7040579
Preview
Coordinates | 7040579.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H24 Cl2 N4 O4 W |
---|---|
Calculated formula | C10 H24 Cl2 N4 O4 W |
SMILES | [W](Cl)(Cl)(=O)(=O)([O]=C(N(C)C)N(C)C)[O]=C(N(C)C)N(C)C |
Title of publication | Synthesis of a highly reactive form of WO2Cl2, its conversion into nanocrystalline mono-hydrated WO3 and coordination compounds with tetramethylurea. |
Authors of publication | Bortoluzzi, Marco; Evangelisti, Claudio; Marchetti, Fabio; Pampaloni, Guido; Piccinelli, Fabio; Zacchini, Stefano |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 39 |
Pages of publication | 15342 |
a | 14.211 ± 0.003 Å |
b | 22.418 ± 0.005 Å |
c | 18.094 ± 0.004 Å |
α | 90° |
β | 113.063 ± 0.003° |
γ | 90° |
Cell volume | 5304 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0646 |
Residual factor for significantly intense reflections | 0.0544 |
Weighted residual factors for significantly intense reflections | 0.1461 |
Weighted residual factors for all reflections included in the refinement | 0.1576 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/7040579.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.