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Information card for entry 7227561
Preview
| Coordinates | 7227561.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C72 H50 Ce2 I6 N6 O14 |
|---|---|
| Calculated formula | C72 H50 Ce2 I6 N6 O14 |
| SMILES | c1cccc2c3cccc4[n]3[Ce]35([n]12)([O]=C(O3)c1ccc(I)cc1)([O]=C(O[Ce]123([n]6ccccc6c6cccc([n]16)c1[n]2cccc1)(OC(=O)c1ccc(I)cc1)([O]=C(O3)c1ccc(I)cc1)([O]=C(O5)c1ccc(I)cc1)[OH2])c1ccc(I)cc1)([n]1c4cccc1)(OC(=O)c1ccc(I)cc1)[OH2] |
| Title of publication | RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials |
| Authors of publication | August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 8 |
| Pages of publication | 1190 |
| a | 14.247 ± 0.0011 Å |
| b | 25.523 ± 0.002 Å |
| c | 10.3649 ± 0.0008 Å |
| α | 90° |
| β | 93.3 ± 0.0009° |
| γ | 90° |
| Cell volume | 3762.7 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0731 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.0999 |
| Weighted residual factors for all reflections included in the refinement | 0.1151 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| 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 |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7227561.cif |
| 193756 | 2017-03-05 | cif/ Updating files of 7227558, 7227559, 7227560, 7227561, 7227562, 7227563, 7227564, 7227565, 7227566, 7227567, 7227568, 7227569, 7227570, 7227571, 7227572, 7227573, 7227574, 7227575, 7227576, 7227577, 7227578 Original log message: Adding full bibliography for 7227558--7227578.cif. |
7227561.cif |
| 191147 | 2017-01-31 | cif/ Adding structures of 7227558, 7227559, 7227560, 7227561, 7227562, 7227563, 7227564, 7227565, 7227566, 7227567, 7227568, 7227569, 7227570, 7227571, 7227572, 7227573, 7227574, 7227575, 7227576, 7227577, 7227578 via cif-deposit CGI script. |
7227561.cif |
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Users of the data should acknowledge the original authors of the
structural data.