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Information card for entry 7218279
Preview
| Coordinates | 7218279.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C66 H40 Cl6 Er2 N4 O12 |
|---|---|
| Calculated formula | C66 H40 Cl6 Er2 N4 O12 |
| SMILES | c12ccc[n]3c1c1c(ccc[n]1[Er]14563([O]=C(O1)c1ccc(cc1)Cl)[O]=C(c1ccc(cc1)Cl)O[Er]13([n]7cccc8ccc9ccc[n]1c9c78)([O]=C(O3)c1ccc(cc1)Cl)([O]=C(O5)c1ccc(cc1)Cl)(OC(=[O]4)c1ccc(cc1)Cl)[O]=C(O6)c1ccc(Cl)cc1)cc2 |
| Title of publication | Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes |
| Authors of publication | Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 44 |
| Pages of publication | 10189 |
| a | 10.0959 ± 0.0003 Å |
| b | 11.8279 ± 0.0003 Å |
| c | 14.274 ± 0.0004 Å |
| α | 111.186 ± 0.0009° |
| β | 96.461 ± 0.0009° |
| γ | 101.386 ± 0.0011° |
| Cell volume | 1526.17 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0292 |
| Residual factor for significantly intense reflections | 0.0236 |
| Weighted residual factors for significantly intense reflections | 0.0493 |
| Weighted residual factors for all reflections included in the refinement | 0.0515 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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. |
7218279.cif |
| 180513 | 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 7/21/82. |
7218279.cif |
| 126361 | 2014-11-06 | cif/ Updating files of 7218273, 7218274, 7218275, 7218276, 7218277, 7218278, 7218279, 7218280, 7218281, 7218282, 7218283 Original log message: Adding full bibliography for 7218273--7218283.cif. |
7218279.cif |
| 124292 | 2014-09-27 | cif/ Adding structures of 7218273, 7218274, 7218275, 7218276, 7218277, 7218278, 7218279, 7218280, 7218281, 7218282, 7218283 via cif-deposit CGI script. |
7218279.cif |
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Users of the data should acknowledge the original authors of the
structural data.