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Information card for entry 4513619
Preview
| Coordinates | 4513619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C96 H68 N16 O22 Zn4 |
|---|---|
| Calculated formula | C96 H68 N16 O22 Zn4 |
| SMILES | c1ccc2c3cccc[n]3[Zn]3([n]2c1)([OH2])OC(=O)c1cc(/N=N/c2ccc(O)cc2)cc(c1)C(=O)O[Zn]12([n]4ccccc4c4[n]1cccc4)[O]=C(O2)c1cc(cc(/N=N/c2ccc(cc2)O)c1)C(=O)O[Zn]1([n]2c(c4cccc[n]14)cccc2)([OH2])OC(=O)c1cc(/N=N/c2ccc(O)cc2)cc(c1)C(=O)O[Zn]12([n]4ccccc4c4[n]1cccc4)[O]=C(O2)c1cc(cc(/N=N/c2ccc(cc2)O)c1)C(=O)O3 |
| Title of publication | New Series of ZnII/CdIIMixed Ligand Coordination Polymers: Toward the Design of Metallogels |
| Authors of publication | Husain, Ahmad; Parveen, Rumana; Dastidar, Parthasarathi |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 10 |
| Pages of publication | 5075 |
| a | 11.179 ± 0.007 Å |
| b | 14.316 ± 0.009 Å |
| c | 16.067 ± 0.01 Å |
| α | 104.774 ± 0.008° |
| β | 108.939 ± 0.008° |
| γ | 106.026 ± 0.008° |
| Cell volume | 2163 ± 2 Å3 |
| Cell temperature | 213.15 K |
| Ambient diffraction temperature | 213.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.12 |
| Residual factor for significantly intense reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.1296 |
| Weighted residual factors for all reflections included in the refinement | 0.1615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4513619.cif |
| 170778 | 2015-12-06 | cif/ Updating files of 4513613, 4513614, 4513615, 4513616, 4513617, 4513618, 4513619, 4513620 Original log message: Adding full bibliography for 4513613--4513620.cif. |
4513619.cif |
| 156335 | 2015-09-16 | cif/ Adding structures of 4513619 via cif-deposit CGI script. |
4513619.cif |
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