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Information card for entry 4337297
Preview
| Coordinates | 4337297.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H40 N5 O12 Tb Zn |
|---|---|
| Calculated formula | C27 H40 N5 O12 Tb Zn |
| SMILES | [Tb]123456([O]7[Zn]89%10([O]2c2c(cc(C)cc2[O]1C)C[N]%10(C)CC[N]8(C)CC[N]9(C)Cc1c7c([O]4C)cc(C)c1)[O]=C(C)O5)([O]=N(O3)=O)ON(=[O]6)=O |
| Title of publication | Bifunctional Zn(II)Ln(III) Dinuclear Complexes Combining Field Induced SMM Behavior and Luminescence: Enhanced NIR Lanthanide Emission by 9-Anthracene Carboxylate Bridging Ligands. |
| Authors of publication | Palacios, María A; Titos-Padilla, Silvia; Ruiz, José; Herrera, Juan Manuel; Pope, Simon J. A.; Brechin, Euan K.; Colacio, Enrique |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 3 |
| Pages of publication | 1465 - 1474 |
| a | 11.45081 ± 0.00014 Å |
| b | 14.77726 ± 0.00018 Å |
| c | 19.3346 ± 0.0002 Å |
| α | 92.6221 ± 0.001° |
| β | 98.4836 ± 0.001° |
| γ | 90.988 ± 0.001° |
| Cell volume | 3231.5 ± 0.07 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 | 0.0363 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0549 |
| Weighted residual factors for all reflections included in the refinement | 0.0566 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4337297.cif |
| 179475 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/72. |
4337297.cif |
| 106265 | 2014-03-15 | cif/ Adding structures of 4337297, 4337298, 4337299, 4337300, 4337301, 4337302, 4337303, 4337304, 4337305, 4337306, 4337307, 4337308 via cif-deposit CGI script. |
4337297.cif |
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