Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2210267
Preview
Coordinates | 2210267.cif |
---|---|
Structure factors | 2210267.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[[bis(O,O'-diisobutyl dithiophosphato-κ^2^S,S')zinc(II)]- μ-1,2-di-4-pyridylethylene-κ^2^N:N'] |
---|---|
Formula | C28 H46 N2 O4 P2 S4 Zn |
Calculated formula | C28 H46 N2 O4 P2 S4 Zn |
SMILES | [Zn]12([S]=P(S1)(OCC(C)C)OCC(C)C)([S]=P(S2)(OCC(C)C)OCC(C)C)([n]1ccc(cc1)/C=C/c1cc[n](cc1)[Zn]12([S]=P(S2)(OCC(C)C)OCC(C)C)[S]=P(S1)(OCC(C)C)OCC(C)C)[n]1ccc(cc1)/C=C/c1ccncc1 |
Title of publication | <i>catena</i>-Poly[[bis(<i>O</i>,<i>O</i>'-diisobutyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')zinc(II)]-μ-1,2-di-4-pyridylethylene-κ^2^<i>N</i>:<i>N</i>'] |
Authors of publication | Welte, William B.; Tiekink, Edward R. T. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 9 |
Pages of publication | m2070 - m2072 |
a | 9.735 ± 0.002 Å |
b | 9.428 ± 0.002 Å |
c | 19.035 ± 0.005 Å |
α | 90° |
β | 94.797 ± 0.007° |
γ | 90° |
Cell volume | 1740.9 ± 0.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0391 |
Residual factor for significantly intense reflections | 0.0367 |
Weighted residual factors for significantly intense reflections | 0.0922 |
Weighted residual factors for all reflections included in the refinement | 0.0944 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
Diffraction radiation wavelength | 0.7107 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/2210267.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.