Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019397
Preview
| Coordinates | 2019397.cif |
|---|---|
| Structure factors | 2019397.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[bis(μ~3~-cyclohexane-1,3,5-tricarboxylato)bis[μ~3~-1,3,5-tris(imidazol-1-ylmethyl)benzene]trizinc(II)] hexahydrate] |
|---|---|
| Formula | C54 H66 N12 O18 Zn3 |
| Calculated formula | C54 H66 N12 O18 Zn3 |
| Title of publication | A novel three-dimensional Zn^II^ coordination polymer with 1,3,5-tris(imidazol-1-ylmethyl)benzene and cyclohexane-1,3,5-tricarboxylate ligands |
| Authors of publication | Zhong, Kai-Long |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | 189 - 193 |
| a | 25.3826 ± 0.0008 Å |
| b | 18.3013 ± 0.0005 Å |
| c | 15.0344 ± 0.0005 Å |
| α | 90° |
| β | 122.244 ± 0.001° |
| γ | 90° |
| Cell volume | 5907 ± 0.3 Å3 |
| Cell temperature | 223.15 K |
| Ambient diffraction temperature | 223.15 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0487 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181863 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/93. |
2019397.cif 2019397.hkl |
| 180861 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/93. |
2019397.cif 2019397.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019397.cif 2019397.hkl |
| 104758 | 2014-03-11 | cif/ hkl/ Adding structures of 2019397 via cif-deposit CGI script. |
2019397.cif 2019397.hkl |
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.