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Information card for entry 2242761
Preview
| Coordinates | 2242761.cif |
|---|---|
| Structure factors | 2242761.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tris(1,1'-dibutyl-4,4'-bipyridine-1,1'-diium) bis(dimethyl sulfoxide)di-μ~3~-iodido-tetra-μ~2~-iodido-octaiodidotetralead(II) dimethyl sulfoxide disolvate |
|---|---|
| Formula | C62 H102 I14 N6 O4 Pb4 S4 |
| Calculated formula | C62 H102 I14 N6 O4 Pb4 S4 |
| SMILES | CCCC[n+]1ccc(c2cc[n+](CCCC)cc2)cc1.I[Pb]123(I)[I][Pb]4(I)(I)([O]=S(C)C)[I][Pb]5(I)(I)([I]14)[I][Pb](I)(I)([O]=S(C)C)([I]2)[I]35.[n+]1(CCCC)ccc(cc1)c1cc[n+](cc1)CCCC.O=S(C)C.[n+]1(CCCC)ccc(cc1)c1cc[n+](cc1)CCCC.O=S(C)C |
| Title of publication | Crystal structure of the lead-containing organic‒inorganic hybrid: (C~18~H~26~N~2~)~3~[Pb~4~I~14~(DMSO)~2~]·2DMSO |
| Authors of publication | Li, Li; Zhao, Dan; Liu, Zhi; Zhang, Dingchao; Hu, Zhenhao; Li, Kunlun; Yang, Jing |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 12 |
| Pages of publication | 1878 - 1880 |
| a | 11.5011 ± 0.001 Å |
| b | 14.2262 ± 0.0013 Å |
| c | 16.2969 ± 0.0014 Å |
| α | 80.305 ± 0.001° |
| β | 78.449 ± 0.001° |
| γ | 81.753 ± 0.001° |
| Cell volume | 2558.5 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0375 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.097 |
| Weighted residual factors for all reflections included in the refinement | 0.0989 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219800 (current) | 2019-10-28 | cif/2 Fixing Z values and formulae |
2242761.cif 2242761.hkl |
| 212227 | 2018-11-28 | cif/ hkl/ Adding structures of 2242761 via cif-deposit CGI script. |
2242761.cif 2242761.hkl |
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