Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7015128
Preview
| Coordinates | 7015128.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H0 F4 N4 O10 S2 Zn2 |
|---|---|
| Calculated formula | C18 H28 F4 N4 O10 S2 Zn |
| Title of publication | para-Benzene disulfonic acid and its tetrachloro and tetrafluoro derivatives‒studies towards polyhalogenated metal-organic-frameworks with sulfo analogues of terephthalic acid. |
| Authors of publication | Muesmann, Thomas W. T.; Zitzer, Christina; Mietrach, Andrea; Klüner, Thorsten; Christoffers, Jens; Wickleder, Mathias S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 13 |
| Pages of publication | 3128 - 3141 |
| a | 8.8901 ± 0.0003 Å |
| b | 9.6891 ± 0.0003 Å |
| c | 16.3307 ± 0.0005 Å |
| α | 90° |
| β | 106.524 ± 0.002° |
| γ | 90° |
| Cell volume | 1348.58 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0884 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0679 |
| Weighted residual factors for all reflections included in the refinement | 0.0948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179855 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/51. |
7015128.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015128.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015128.cif |
| 21069 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015126, 7015127, 7015128, 7015129, 7015130, 7015131 via cif-deposit CGI script. |
7015128.cif |
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.