Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7201309
Preview
| Coordinates | 7201309.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ((CH3)4N) Nd (C12H8N2)2 (C28H20S4O16) 3.5H2O |
|---|---|
| Formula | C56 H55 N5 Nd O19.5 S4 |
| Calculated formula | C56 H32 N5 Nd0.999 O16 S4 |
| Title of publication | 3D metal–organic frameworks incorporating water-soluble tetra-p-sulfonatocalix[4]arene |
| Authors of publication | Liao, Wuping; Liu, Ce; Wang, Xiaofei; Zhu, Guangshan; Zhao, Xiaojun; Zhang, Hongjie |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 11 |
| Pages of publication | 2282 |
| a | 18.9307 ± 0.0013 Å |
| b | 18.9307 ± 0.0013 Å |
| c | 20.989 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7521.9 ± 1 Å3 |
| Cell temperature | 145 ± 2 K |
| Ambient diffraction temperature | 145 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 132 |
| Hermann-Mauguin space group symbol | P 42/m c m |
| Hall space group symbol | -P 4c 2c |
| Residual factor for all reflections | 0.086 |
| Residual factor for significantly intense reflections | 0.0691 |
| Weighted residual factors for significantly intense reflections | 0.212 |
| Weighted residual factors for all reflections included in the refinement | 0.2238 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282882 (current) | 2023-04-27 | cod/ (saulius@tasmanijos-velnias) Correcting DOIs and bibliographies in 30 COD entries that had wrong DOIs. The corrections were checked against the supplementary files downloaded manually today. All these structures have duplicates, alas. |
7201309.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7201309.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201309.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201309.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201309.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.