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Information card for entry 7018163
Preview
| Coordinates | 7018163.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C84 H68 F18 Gd2 N6 O16 |
|---|---|
| Calculated formula | C84 H68 F18 Gd2 N6 O16 |
| SMILES | C(C1=CC(=[O][Gd]234([n]5ccc(C6N(O[Gd]789([n]%10ccc(C%11N([O]4)C(C(N=%11=O)(C)C)(C)C)cc%10)([O]=C(C(F)(F)F)C=C(c4ccccc4)O7)([O]=C(C(F)(F)F)C=C(O8)c4ccccc4)OC(=CC(=[O]9)c4ccccc4)C(F)(F)F)C(C(N=6=O)(C)C)(C)C)cc5)(O1)([O]=C(C(F)(F)F)C=C(O2)c1ccccc1)OC(=CC(=[O]3)c1ccccc1)C(F)(F)F)c1ccccc1)(F)(F)F |
| Title of publication | Modulating spin dynamics of cyclic Ln(III)-radical complexes (Ln(III) = Tb, Dy) by using phenyltrifluoroacetylacetonate coligand. |
| Authors of publication | Mei, Xue-Lan; Liu, Rui-Na; Wang, Chao; Yang, Pei-Pei; Li, Li-Cun; Liao, Dai-Zheng |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 10 |
| Pages of publication | 2904 - 2909 |
| a | 11.613 ± 0.003 Å |
| b | 12.202 ± 0.003 Å |
| c | 16.414 ± 0.004 Å |
| α | 105.214 ± 0.004° |
| β | 101.262 ± 0.003° |
| γ | 104.368 ± 0.002° |
| Cell volume | 2088.1 ± 0.9 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.061 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.0837 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7018163.cif |
| 179885 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/81. |
7018163.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018163.cif |
| 37670 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7018163, 7018164, 7018165 via cif-deposit CGI script. |
7018163.cif |
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