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Information card for entry 4515173
Preview
| Coordinates | 4515173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C81 H180 Cl19 N9 Pb3 Zn2 |
|---|---|
| Calculated formula | C81 H180 Cl19 N9 Pb3 Zn2 |
| SMILES | Cl[Zn](Cl)([Cl-])[Cl-].Cl[Zn](Cl)([Cl-])[Cl-].Cl[Pb]123(Cl)[Cl][Pb]45(Cl)(Cl)[Cl][Pb](Cl)(Cl)([Cl]1)([Cl]24)[Cl]35.C[N+]1(CCCC1)CCCC.C[N+]1(CCCC1)CCCC.C[N+]1(CCCC1)CCCC.C[N+]1(CCCC1)CCCC.C[N+]1(CCCC1)CCCC.C[N+]1(CCCC1)CCCC.C[N+]1(CCCC1)CCCC.C[N+]1(CCCC1)CCCC.C[N+]1(CCCC1)CCCC |
| Title of publication | Green Emitting Single-Crystalline Bulk Assembly of Metal Halide Clusters with Near-Unity Photoluminescence Quantum Efficiency |
| Authors of publication | Zhou, Chenkun; Lin, Haoran; Neu, Jennifer; Zhou, Yan; Chaaban, Maya; Lee, Sujin; Worku, Michael; Chen, Banghao; Clark, Ronald; Cheng, Wenhao; Guan, Jingjiao; Djurovich, Peter; Zhang, Dongzhou; Lü, Xujie; Bullock, James; Pak, Chongin; Shatruk, Michael; Du, Mao-Hua; Siegrist, Theo; Ma, Biwu |
| Journal of publication | ACS Energy Letters |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 7 |
| Pages of publication | 1579 |
| a | 14.6247 ± 0.0003 Å |
| b | 14.6247 ± 0.0003 Å |
| c | 30.1473 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5584.1 ± 0.2 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 6 |
| Space group number | 173 |
| Hermann-Mauguin space group symbol | P 63 |
| Hall space group symbol | P 6c |
| Residual factor for all reflections | 0.0665 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for all reflections | 0.0963 |
| Weighted residual factors for significantly intense reflections | 0.0936 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9966 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220275 (current) | 2019-10-28 | cif/ Adding structures of 4515173 via cif-deposit CGI script. |
4515173.cif |
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