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Information card for entry 4337302
Preview
| Coordinates | 4337302.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H52 N7 O12 Tb Zn |
|---|---|
| Calculated formula | C44 H52 N7 O12 Tb Zn |
| SMILES | [Zn]12345[O]6[Tb]789%10([O](C)c%11c(c(cc(C)c%11)C[N]1(C)CC[N]2(C)CC[N]3(C)Cc1c6c(cc(C)c1)[O]9C)[O]47)(ON(=[O]%10)=O)(ON(=O)=[O]8)[O]=C(c1c2ccccc2cc2ccccc12)O5.C(#N)C.C(#N)C |
| 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 | 13.546 ± 0.005 Å |
| b | 23.332 ± 0.005 Å |
| c | 14.885 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 102.616 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 4591 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.033 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0688 |
| Weighted residual factors for all reflections included in the refinement | 0.071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71069 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. |
4337302.cif |
| 179476 | 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 4/33/73. |
4337302.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. |
4337302.cif |
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Users of the data should acknowledge the original authors of the
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