Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2208329
Preview
Coordinates | 2208329.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | catena-Poly[[dibromomercury(II)]-μ-1,5-bis(benzylsulfanyl)pentane-κ^2^S:S'] |
---|---|
Formula | C19 H24 Br2 Hg S2 |
Calculated formula | C19 H24 Br2 Hg S2 |
SMILES | [Hg](Br)(Br)([S](Cc1ccccc1)CCCCCSCc1ccccc1)[S](CCCCC[S]([Hg](Br)Br)Cc1ccccc1)Cc1ccccc1 |
Title of publication | <i>catena</i>-Poly[[dibromomercury(II)]-μ-1,5-bis(benzylsulfanyl)pentane-κ^2^<i>S</i>:<i>S</i>'] |
Authors of publication | Yu, Qun; Tao, Ying; Li, Jian-Rong |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 3 |
Pages of publication | m613 - m614 |
a | 7.6155 ± 0.0015 Å |
b | 9.4568 ± 0.0019 Å |
c | 16.227 ± 0.003 Å |
α | 103.52 ± 0.03° |
β | 97.15 ± 0.03° |
γ | 102.04 ± 0.03° |
Cell volume | 1092.7 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.041 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for significantly intense reflections | 0.052 |
Weighted residual factors for all reflections included in the refinement | 0.055 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
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/2208329.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.