Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7704071
Preview
Coordinates | 7704071.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H60 Cl O18 V6 |
---|---|
Calculated formula | C24 H60 Cl0.994 O18.006 V6 |
Title of publication | Site-selective halogenation of mixed-valent vanadium oxide clusters. |
Authors of publication | Maiola, Michela L.; Petel, Brittney E.; Brennessel, William W.; Matson, Ellen M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 45 |
Pages of publication | 16184 - 16192 |
a | 10.7617 ± 0.0007 Å |
b | 17.7653 ± 0.0009 Å |
c | 10.9667 ± 0.0007 Å |
α | 90° |
β | 107.866 ± 0.007° |
γ | 90° |
Cell volume | 1995.6 ± 0.2 Å3 |
Cell temperature | 223 ± 0.1 K |
Ambient diffraction temperature | 223 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 12 |
Hermann-Mauguin space group symbol | I 1 2/m 1 |
Hall space group symbol | -I 2y |
Residual factor for all reflections | 0.1006 |
Residual factor for significantly intense reflections | 0.0712 |
Weighted residual factors for significantly intense reflections | 0.2043 |
Weighted residual factors for all reflections included in the refinement | 0.2392 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7704071.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.