Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7001637
Preview
| Coordinates | 7001637.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H28 N8 O14 S2 Zn2 |
|---|---|
| Calculated formula | C26 H28 N8 O14 S2 Zn2 |
| SMILES | [n]12[Zn]3([n]4cccc5c4c1c(ccc2)c1c5[nH]cn1)(OS(=O)(=O)O[Zn]1([n]2cccc4c5c(c6ccc[n]1c6c24)[nH]cn5)(OS(=O)(=O)O3)([OH2])[OH2])([OH2])[OH2].O.O |
| Title of publication | Interplay of coordinative and supramolecular interactions in formation of a series of metal–organic complexes bearing diverse dimensionalities |
| Authors of publication | Liu, Jian-Qiang; Zhang, Ya-Nan; Wang, Yao-Yu; Jin, Jun-Cheng; Lermontova, Elmira Kh.; Shi, Qi-Zhen |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 27 |
| Pages of publication | 5365 - 5378 |
| a | 10.31 ± 0.005 Å |
| b | 9.031 ± 0.004 Å |
| c | 17.003 ± 0.008 Å |
| α | 90° |
| β | 98.96 ± 0.009° |
| γ | 90° |
| Cell volume | 1563.8 ± 1.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0574 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.0989 |
| Weighted residual factors for all reflections included in the refinement | 0.1037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7001637.cif |
| 179714 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/16. |
7001637.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001637.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001637.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001637.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.