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Information card for entry 7240831
Preview
| Coordinates | 7240831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C62 H44 N4 O18 Zn2 |
|---|---|
| Calculated formula | C62 H44 N4 O18 Zn2 |
| Title of publication | Structural Diversity, Magnetic Properties, or Luminescent Sensing Based Ni(II)/Zn(II) Coordination Polymers of the semirigid ligand of 3,3'-((5-car-boxy-1,3-phe-nylene)bis(oxy))diben¬zate |
| Authors of publication | Yang, Dong-Dong; Lu, Liping; Zhu, Miaoli |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 10.0734 ± 0.0003 Å |
| b | 10.7439 ± 0.0003 Å |
| c | 13.9706 ± 0.0004 Å |
| α | 80.34 ± 0.001° |
| β | 79.996 ± 0.001° |
| γ | 64.717 ± 0.001° |
| Cell volume | 1338.92 ± 0.07 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 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 | 0.0792 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.0878 |
| Weighted residual factors for all reflections included in the refinement | 0.1039 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240831.cif |
| 254044 | 2020-07-07 | cif/ Adding structures of 7240830, 7240831, 7240832, 7240833 via cif-deposit CGI script. |
7240831.cif |
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Users of the data should acknowledge the original authors of the
structural data.