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Information card for entry 2242358
Preview
| Coordinates | 2242358.cif |
|---|---|
| Structure factors | 2242358.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[tetra-μ~3~-iodido-μ~2~-iodido-bis(μ~3~-piperidine-1-dithiocarbamato)propionitrilepentacopper(I)nickel(II)] chloroform monosolvate] |
|---|---|
| Formula | C16 H26 Cl3 Cu5 I5 N3 Ni S4 |
| Calculated formula | C16 H26 Cl3 Cu5 I5 N3 Ni S4 |
| SMILES | [Cu]12345[Cu]678([I]2[Cu]297[I]74[Cu]4%101([I]36)([I][Cu]274([I]89))[S]12=C(N3CCCCC3)[S]5[Ni]31[S]1[Cu]4567[Cu]89%11([I]5[Cu]5%12%139[I]97[Cu]724([I]68)([I][Cu]597([I]%11%12)[S]2=C(N4CCCCC4)[S]%13[Ni]24SC(N2CCCCC2)=[S]4)[S]%103=C1N1CCCCC1)[N]#CCC)[N]#CCC.C(Cl)(Cl)(Cl)Cl.C(Cl)(Cl)(Cl)Cl |
| Title of publication | Crystal structure of a new mixed-metal coordination polymer consisting of Ni^II^ piperidine-dithiocarbamate and pentanuclear Cu^I^—I cluster units |
| Authors of publication | Himoto, Kento; Horii, Toshiya; Oda, Shoki; Suzuki, Shimpei; Sugimoto, Kunihisa; Okubo, Takashi; Maekawa, Masahiko; Kuroda-Sowa, Takayoshi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 2 |
| Pages of publication | 233 - 236 |
| a | 11.6906 ± 0.0004 Å |
| b | 13.2597 ± 0.0003 Å |
| c | 12.6351 ± 0.0004 Å |
| α | 90° |
| β | 112.829 ± 0.004° |
| γ | 90° |
| Cell volume | 1805.19 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 8 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.025 |
| Residual factor for significantly intense reflections | 0.0206 |
| Weighted residual factors for significantly intense reflections | 0.0467 |
| Weighted residual factors for all reflections included in the refinement | 0.048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205879 (current) | 2018-01-30 | cif/ hkl/ Adding structures of 2242358 via cif-deposit CGI script. |
2242358.cif 2242358.hkl |
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