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Information card for entry 4346954
Preview
| Coordinates | 4346954.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Sm2(C3H3N4O2)4(NO3)2(C10N2H8)2 |
|---|---|
| Chemical name | 'Sm2(C3H3N4O2)4(NO3)2(C10N2)2' |
| Formula | C32 H28 N22 O14 Sm2 |
| Calculated formula | C32 H28 N22 O14 Sm2 |
| SMILES | c1n(CC2=[O][Sm]34567([O]8C(Cn9cnnn9)=[O][Sm]9%108(O2)([O]=C(Cn2cnnn2)O5)([O]6C(Cn2cnnn2)=[O]7)(ON(=[O]9)=O)[n]2ccccc2c2cccc[n]%102)(ON(=[O]3)=O)[n]2ccccc2c2[n]4cccc2)nnn1 |
| Title of publication | Anion Effects on Lanthanide(III) Tetrazole-1-acetate Dinuclear Complexes Showing Slow Magnetic Relaxation and Photofluorescent Emission. |
| Authors of publication | Lu, Ying-Bing; Jiang, Xiao-Ming; Zhu, Shui-Dong; Du, Zi-Yi; Liu, Cai-Ming; Xie, Yong-Rong; Liu, Liang-Xian |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 8 |
| Pages of publication | 3738 - 3749 |
| a | 9.5168 ± 0.0001 Å |
| b | 20.2596 ± 0.0002 Å |
| c | 12.0263 ± 0.0002 Å |
| α | 90° |
| β | 108.697 ± 0.001° |
| γ | 90° |
| Cell volume | 2196.38 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0319 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0642 |
| Weighted residual factors for all reflections included in the refinement | 0.0683 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4346954.cif |
| 232082 | 2019-11-23 | cif/ Adding structures of 4346954, 4346955, 4346956, 4346957, 4346958, 4346959, 4346960 via cif-deposit CGI script. |
4346954.cif |
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Users of the data should acknowledge the original authors of the
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