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Information card for entry 4132930
Preview
| Coordinates | 4132930.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C107 H64 B2 Cl2 F48 Pd13 |
|---|---|
| Calculated formula | C106 H66 B2 F48 Pd13 |
| SMILES | [B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.[cH]12[cH]3[cH]4[cH]5[cH]6[cH]7[cH]1[Pd]189%10%117[Pd]7%12%13%14%1523[cH]2[cH]7[cH]3[cH]7[cH]%16[cH]%17[cH]2[Pd]2%18%19%208%15[Pd]8%15%21%22%23%24%25%261%13[Pd]1%13%27%284%12[cH]4[cH]1[cH]1[cH]%12[cH]%29[cH]%30[cH]4[Pd]4%31%32%26%28%30[cH]%26[cH]%28[cH]%30[cH]%33[cH]%34[cH]%35[cH]%26[Pd]56%10%22%27%31%35[Pd]56%10%11%25%33%34[cH]%11[cH]%22[cH]([cH]%18[cH]2[cH]9[cH]5%11)[Pd]25%19%21%10%22[cH]9[cH]%10[cH]%11[cH]%18[cH]%19[cH]%21[cH]9[Pd]9%16%17%20%235%21[Pd]%14378%131%12[Pd]%24%29%32%18%199[Pd]%154%28%3062%10%11.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| Title of publication | Three-Dimensional Sandwich Nanocubes Composed of 13-Atom Palladium Core and Hexakis-Carbocycle Shell. |
| Authors of publication | Teramoto, Masahiro; Iwata, Kosuke; Yamaura, Hiroshige; Kurashima, Kenta; Miyazawa, Koshi; Kurashige, Yuki; Yamamoto, Koji; Murahashi, Tetsuro |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 40 |
| Pages of publication | 12682 - 12686 |
| a | 23.2659 ± 0.0007 Å |
| b | 18.4382 ± 0.0005 Å |
| c | 24.9602 ± 0.0007 Å |
| α | 90° |
| β | 93.4714 ± 0.0008° |
| γ | 90° |
| Cell volume | 10687.8 ± 0.5 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1213 |
| Residual factor for significantly intense reflections | 0.0944 |
| Weighted residual factors for significantly intense reflections | 0.2439 |
| Weighted residual factors for all reflections included in the refinement | 0.2669 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242791 (current) | 2019-11-26 | cif/ Adding structures of 4132930 via cif-deposit CGI script. |
4132930.cif |
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Users of the data should acknowledge the original authors of the
structural data.