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Information card for entry 7216169
Preview
| Coordinates | 7216169.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C45 H29 N8 O6 Tb |
|---|---|
| Calculated formula | C45 H29 N8 O6 Tb |
| Title of publication | Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning |
| Authors of publication | Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 28 |
| Pages of publication | 6483 |
| a | 10.09 ± 0.001 Å |
| b | 14.133 ± 0.001 Å |
| c | 15.143 ± 0.001 Å |
| α | 70.273 ± 0.001° |
| β | 71.654 ± 0.001° |
| γ | 76.327 ± 0.001° |
| Cell volume | 1908.8 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0445 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.1008 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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. |
7216169.cif |
| 180492 | 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 7/21/61. |
7216169.cif |
| 119433 | 2014-07-07 | cif/ Updating files of 7216165, 7216166, 7216167, 7216168, 7216169, 7216170 Original log message: Adding full bibliography for 7216165--7216170.cif. |
7216169.cif |
| 114434 | 2014-05-24 | cif/ Adding structures of 7216165, 7216166, 7216167, 7216168, 7216169, 7216170 via cif-deposit CGI script. |
7216169.cif |
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Users of the data should acknowledge the original authors of the
structural data.