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Information card for entry 7213687
Preview
| Coordinates | 7213687.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H25 Cl3 Gd N3 O7 |
|---|---|
| Calculated formula | C36 H25 Cl3 Gd N3 O7 |
| SMILES | [Gd]1234([O]=C(O1)c1ccc(Cl)cc1)([OH2])([O]=C(O2)c1ccc(Cl)cc1)(OC(=O)c1ccc(Cl)cc1)[n]1c(c2[n]3c(c3[n]4cccc3)ccc2)cccc1 |
| Title of publication | A series of Ln-p-chlorobenzoic acid–terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior |
| Authors of publication | Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 10 |
| Pages of publication | 1873 |
| a | 8.6934 ± 0.0009 Å |
| b | 13.1762 ± 0.0013 Å |
| c | 14.7709 ± 0.0015 Å |
| α | 100.235 ± 0.001° |
| β | 97.94 ± 0.001° |
| γ | 92.176 ± 0.001° |
| Cell volume | 1645.7 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0556 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0751 |
| Weighted residual factors for all reflections included in the refinement | 0.0812 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| 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 |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7213687.cif |
| 180467 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/36. |
7213687.cif |
| 105154 | 2014-03-11 | cif/ Adding structures of 7213681, 7213682, 7213683, 7213684, 7213685, 7213686, 7213687, 7213688, 7213689, 7213690, 7213691, 7213692, 7213693, 7213694, 7213695 via cif-deposit CGI script. |
7213687.cif |
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Users of the data should acknowledge the original authors of the
structural data.