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Information card for entry 2242757
Preview
| Coordinates | 2242757.cif |
|---|---|
| Structure factors | 2242757.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis{μ~2~-6,6'-dimethoxy-2,2'-[phenylene-1,2-diylbis(nitrilomethanylylidene)]diphenolato}-1κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':2κ^3^<i>O</i>,<i>O</i>',<i>O</i>^6^;2κ^3^<i>O</i>,<i>O</i>',<i>O</i>^6^:3κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-bis(dimethylformamide-2κ<i>O</i>)dithiocyanato-1κ<i>N</i>,3κ<i>N</i>-2-samarium(III)-1,3-dizinc(II) {μ~2~-6,6'-dimethoxy-2,2'-[phenylene-1,2-diylbis(nitrilomethanylylidene)]diphenolato-1κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':2κ^2^<i>O</i>,<i>O</i>'}trithiocyanato-1κ<i>N</i>;2κ^2^<i>N</i>,<i>N</i>-dizinc(II) dimethylformamide monosolvate 1.32-hydrate |
|---|---|
| Formula | C80 H75.64 N14 O15.32 S5 Sm Zn4 |
| Calculated formula | C80 H75.64 N14 O15.32 S5 Sm Zn4 |
| Title of publication | A new co-crystal dinuclear/trinuclear Zn^II^–Zn^II^/Zn^II^–Sm^III^–Zn^II^ complex with a salen-type Schiff base ligand |
| Authors of publication | Sarr, Mamour; Diop, Mayoro; Thiam, Elhadj Ibrahima; Gaye, Mohamed; Barry, Aliou Hamady; Orton, James B.; Coles, Simon J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 12 |
| Pages of publication | 1862 - 1866 |
| a | 14.76937 ± 0.00009 Å |
| b | 15.57623 ± 0.0001 Å |
| c | 19.28129 ± 0.00013 Å |
| α | 94.7754 ± 0.0005° |
| β | 104.2 ± 0.0006° |
| γ | 100.929 ± 0.0005° |
| Cell volume | 4182.75 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0254 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for significantly intense reflections | 0.0567 |
| Weighted residual factors for all reflections included in the refinement | 0.0572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242757.cif 2242757.hkl |
| 212141 | 2018-11-23 | cif/ hkl/ Adding structures of 2242757 via cif-deposit CGI script. |
2242757.cif 2242757.hkl |
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Users of the data should acknowledge the original authors of the
structural data.