Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2224431
Preview
Coordinates | 2224431.cif |
---|---|
Structure factors | 2224431.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]- μ-9,10-dioxoanthracene-1,5-disulfonato-κ^2^<i>O^1^</i>:<i>O</i>^5^] |
---|---|
Formula | C34 H22 Cd N4 O8 S2 |
Calculated formula | C34 H22 Cd N4 O8 S2 |
SMILES | [Cd]12(OS(=O)(=O)c3c4C(=O)c5cccc(S(=O)(=O)[O-])c5C(=O)c4ccc3)([n]3c(cccc3)c3[n]1cccc3)([n]1c(cccc1)c1[n]2cccc1)OS(=O)(=O)c1cccc2C(=O)c3c(S(=O)(=O)O[Cd]45([n]6c(cccc6)c6[n]4cccc6)[n]4c(cccc4)c4[n]5cccc4)cccc3C(=O)c12 |
Title of publication | <i>catena</i>-Poly[[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-9,10-dioxoanthracene-1,5-disulfonato-κ^2^<i>O</i>^1^:<i>O</i>^5^] |
Authors of publication | Jia, Jia; Zhang, Youdi; Zhao, Yanhui |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 12 |
Pages of publication | m1580 - m1581 |
a | 10.3807 ± 0.0007 Å |
b | 10.7406 ± 0.0008 Å |
c | 13.1289 ± 0.0009 Å |
α | 94.044 ± 0.001° |
β | 90.239 ± 0.001° |
γ | 97.025 ± 0.001° |
Cell volume | 1449.08 ± 0.18 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0238 |
Residual factor for significantly intense reflections | 0.0219 |
Weighted residual factors for significantly intense reflections | 0.059 |
Weighted residual factors for all reflections included in the refinement | 0.0606 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
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/2224431.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.