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Information card for entry 1571586
Preview
| Coordinates | 1571586.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C174 H94 Ag6 Au9 Cl2 F60 P5 |
|---|---|
| Calculated formula | C174 H94 Ag6 Au9 Cl2 F60 P5 |
| SMILES | [Au]12([Au]34[Au]5([Au]6[C](#Cc7cc(cc(c7)C(F)(F)F)C(F)(F)F)[Ag][C](#Cc7cc(C(F)(F)F)cc(c7)C(F)(F)F)[Au][C](#Cc7cc(cc(c7)C(F)(F)F)C(F)(F)F)[Ag]35[C](#Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[Au][C](#Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[Ag]24[C](#Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[Au]1[C](#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[Ag][C]6#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[P](C[P]([Au][C](#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[Ag]Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(C[P]([Au][C](#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[Ag]Cl)(c1ccccc1)c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | [Au<sub>9</sub>Ag<sub>6</sub>(CCR)<sub>10</sub>(DPPM)<sub>2</sub>Cl<sub>2</sub>](PPh<sub>4</sub>): a four-electron cluster with a bi-decahedral twisted metal core. |
| Authors of publication | Deng, Guocheng; Ki, Taeyoung; Yoo, Seungwoo; Liu, Xiaolin; Lee, Kangjae; Bootharaju, Megalamane S.; Hyeon, Taeghwan |
| Journal of publication | Nanoscale |
| Year of publication | 2024 |
| Journal volume | 16 |
| Journal issue | 23 |
| Pages of publication | 11090 - 11095 |
| a | 19.1458 ± 0.0002 Å |
| b | 22.7805 ± 0.0004 Å |
| c | 23.8161 ± 0.0002 Å |
| α | 91.223 ± 0.001° |
| β | 94.258 ± 0.001° |
| γ | 114.009 ± 0.001° |
| Cell volume | 9447.4 ± 0.2 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 | 0.0924 |
| Residual factor for significantly intense reflections | 0.0771 |
| Weighted residual factors for significantly intense reflections | 0.1986 |
| Weighted residual factors for all reflections included in the refinement | 0.2098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293181 (current) | 2024-07-05 | cif/ Updating files of 1571586 Original log message: Adding full bibliography for 1571586.cif. |
1571586.cif |
| 291765 | 2024-05-08 | cif/ Adding structures of 1571586 via cif-deposit CGI script. |
1571586.cif |
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Users of the data should acknowledge the original authors of the
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