Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4323500
Preview
Coordinates | 4323500.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Catena-[Tetra(pentafluorophenoxy)bismuth]Sodium |
---|---|
Formula | C28 H8 Bi F20 Na O5 |
Calculated formula | C28 H8 Bi F20 Na O5 |
SMILES | [Bi]([O]1CCCC1)(Oc1c(F)c(F)c(c(F)c1F)F)(Oc1c(c(c(c(c1F)F)F)F)F)(Oc1c(c(c(c(F)c1F)F)F)F)Oc1c(c(c(c(c1F)F)F)F)F.[Na+] |
Title of publication | Oligomerization and Oxide Formation in Bismuth Aryloxides: Synthesis, Characterization, and Structures of [NaBi(OC6F5)4(THF)]∞and Na4Bi2(μ6-O)(OC6F5)8(THF)4 |
Authors of publication | Jennifer L. Jolas; Silke Hoppe; Kenton H. Whitmire |
Journal of publication | Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 36 |
Pages of publication | 3335 - 3340 |
a | 12.324 ± 0.002 Å |
b | 10.934 ± 0.002 Å |
c | 13.334 ± 0.003 Å |
α | 90° |
β | 91.19 ± 0.03° |
γ | 90° |
Cell volume | 1796.4 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0727 |
Residual factor for significantly intense reflections | 0.058 |
Weighted residual factors for all reflections | 0.1821 |
Weighted residual factors for significantly intense reflections | 0.1558 |
Goodness-of-fit parameter for all reflections | 1.016 |
Goodness-of-fit parameter for significantly intense reflections | 1.014 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
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/4323500.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.