Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2009023
Preview
Coordinates | 2009023.cif |
---|---|
Original IUCr paper | HTML |
Formula | C48 H88 Ag4 N12 O12 S8 |
---|---|
Calculated formula | C48 H88 Ag4 N12 O12 S8 |
Title of publication | Complexation of ω-thiocaprolactam with heavy metals: terminal and bridging coordination modes in cadmium and silver compounds |
Authors of publication | Bernès, Sylvain; Aguilar, Julio César; Rodríguez de San Miguel Guerrero, Eduardo; Nuñez Gaytán, María Elena; De Gyves, Josefina |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1999 |
Journal volume | 55 |
Journal issue | 10 |
Pages of publication | 1627 - 1631 |
a | 14.3913 ± 0.0014 Å |
b | 11.0072 ± 0.0011 Å |
c | 22.163 ± 0.002 Å |
α | 90° |
β | 100.898 ± 0.007° |
γ | 90° |
Cell volume | 3447.5 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1097 |
Residual factor for significantly intense reflections | 0.0556 |
Weighted residual factors for significantly intense reflections | 0.1084 |
Weighted residual factors for all reflections included in the refinement | 0.1295 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
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/2009023.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.