Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4321983
Preview
Coordinates | 4321983.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | F7 K O4 Re2 |
---|---|
Calculated formula | F7 K O4 Re2 |
SMILES | [F]([Re](F)(F)(=O)(F)=O)[Re](F)(F)(F)(=O)=O.[K+] |
Title of publication | Lewis Acid Behavior of ReO2F3: Synthesis of (ReO2F3)\ιnfty, ReO2F4-, Re2O4F7-, Re3O6F10-, and ReO2F3(CH3CN) and Study by NMR Spectroscopy, Raman Spectroscopy, and Density Functional Theory Calculations; and X-ray Structures of [Li][ReO2F4], [K][Re2O4F7], [K][Re2O4F7].2ReO2F3, [Cs][Re3O6F10], and ReO3F(CH3CN)2.CH3CN |
Authors of publication | William J. Casteel; David A. Dixon; Nicolas LeBlond; Philippa E. Lock; Hélène P. A. Mercier; Gary J. Schrobilgen |
Journal of publication | Inorganic Chemistry |
Year of publication | 1999 |
Journal volume | 38 |
Pages of publication | 2340 - 2358 |
a | 5.499 ± 0.0011 Å |
b | 5.153 ± 0.001 Å |
c | 14.753 ± 0.003 Å |
α | 90° |
β | 95.68 ± 0.03° |
γ | 90° |
Cell volume | 415.99 ± 0.15 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.0553 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for all reflections | 0.1243 |
Weighted residual factors for significantly intense reflections | 0.12 |
Goodness-of-fit parameter for significantly intense reflections | 1.121 |
Diffraction radiation wavelength | 0.56086 Å |
Diffraction radiation type | AgKα |
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/4321983.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.