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Information card for entry 7221532
Preview
| Coordinates | 7221532.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C58 H46 I2 N12 O14 U2 |
|---|---|
| Calculated formula | C58 H46 I2 N12 O14 U2 |
| SMILES | c12[n]([U]3([n]4ccccc14)(=O)(=O)OC(=O)c1ccc(c(I)c1)C(=O)O[U]1([n]4ccccc4c4[n]1c(nc(c1ccccn1)n4)c1ncccc1)(=O)(=O)OC(=O)c1ccc(C(=O)O3)c(I)c1)c(nc(c1ccccn1)n2)c1ncccc1.OC(C)C.OC(C)C |
| Title of publication | Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands |
| Authors of publication | Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 32 |
| Pages of publication | 6236 |
| a | 10.534 ± 0.0008 Å |
| b | 11.5475 ± 0.0008 Å |
| c | 13.4109 ± 0.001 Å |
| α | 68.203 ± 0.001° |
| β | 77.871 ± 0.001° |
| γ | 87.132 ± 0.001° |
| Cell volume | 1480.17 ± 0.19 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0549 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1037 |
| Weighted residual factors for all reflections included in the refinement | 0.1105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| 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. |
7221532.cif |
| 153131 | 2015-08-08 | cif/ Updating files of 7221528, 7221529, 7221530, 7221531, 7221532, 7221533, 7221534 Original log message: Adding full bibliography for 7221528--7221534.cif. |
7221532.cif |
| 152017 | 2015-07-14 | cif/ Adding structures of 7221528, 7221529, 7221530, 7221531, 7221532, 7221533, 7221534 via cif-deposit CGI script. |
7221532.cif |
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Users of the data should acknowledge the original authors of the
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