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Information card for entry 1512827
Preview
| Coordinates | 1512827.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H36 N8 O18 Zn2 |
|---|---|
| Calculated formula | C44 H36 N8 O18 Zn2 |
| SMILES | [Zn]12([O]=C(O[Zn]3([O]=C(O1)c1cc(cc(c1)C(=O)O)C(=O)[O-])([OH2])([OH2])[n]1cccc4c5[nH]cnc5c5ccc[n]3c5c14)c1cc(cc(c1)C(=O)O)C(=O)[O-])([OH2])([OH2])[n]1cccc3c1c1[n]2cccc1c1nc[nH]c31.O.O |
| Title of publication | Syntheses, structures, and photoluminescence of a series of d10 coordination complexes from N,N'-bidentate imidazo[4,5-f][1,10]phenanthroline and benzene-1,3,5-tricarboxylic acid |
| Authors of publication | Guang-Bo Che; Shan-Shan Wang; Xiao-Lin Zha; Xiu-Ying Li; Chun-Bo Liu; Xing-Jing Zhang; Zhan-Lin Xu; Qing-Wei Wang |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2013 |
| Journal volume | 394 |
| Pages of publication | 481 - 487 |
| a | 8.5875 ± 0.0017 Å |
| b | 9.0836 ± 0.0018 Å |
| c | 14.313 ± 0.003 Å |
| α | 82.15 ± 0.03° |
| β | 87.49 ± 0.03° |
| γ | 73.34 ± 0.03° |
| Cell volume | 1059.6 ± 0.4 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 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 | 0.0353 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.0785 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1512827.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1512827.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1512827.cif |
| 90974 | 2013-11-22 | cif/ Adding structures of 1512827 via cif-deposit CGI script. |
1512827.cif |
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