Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2219058
Preview
Coordinates | 2219058.cif |
---|---|
Structure factors | 2219058.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[μ-aqua-2:1'κ^2^O:O-aqua-2κO-(2-fluorobenzoato- 1κ^2^<i>O</i>,<i>O</i>')(μ~2~-2-fluorobenzoato- 2':1κ^2^<i>O</i>:<i>O</i>')bis(μ~3~-2-fluorobenzoato)- 2':1:2κ^4^O:O,O':O';1:2:1'κ^5^F,O:O,O':O'-dilead(II)] |
---|---|
Formula | C14 H10 F2 O5 Pb |
Calculated formula | C14 H10 F2 O5 Pb |
SMILES | [Pb+2].Fc1c(C(=O)[O-])cccc1.Fc1c(cccc1)C(=O)[O-].O |
Title of publication | <i>catena</i>-Poly[μ-aqua-2:1'κ^2^<i>O</i>:<i>O</i>-aqua-2κ<i>O</i>-(2-fluorobenzoato-1κ^2^<i>O</i>,<i>O</i>')(μ~2~-2-fluorobenzoato-2':1κ^2^<i>O</i>:<i>O</i>')bis(μ~3~-2-fluorobenzoato)-2':1:2κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>';1:2:1'κ^5^<i>F</i>,<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'-dilead(II)] |
Authors of publication | Zhang, Bi-Song |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 8 |
Pages of publication | m1055 - m1056 |
a | 7.1016 ± 0.0014 Å |
b | 14.794 ± 0.003 Å |
c | 15.096 ± 0.003 Å |
α | 111.56 ± 0.03° |
β | 95.32 ± 0.03° |
γ | 97.31 ± 0.03° |
Cell volume | 1446.2 ± 0.6 Å3 |
Cell temperature | 290 ± 2 K |
Ambient diffraction temperature | 290 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0487 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.0885 |
Weighted residual factors for all reflections included in the refinement | 0.0939 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2219058.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.