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Information card for entry 1556086
Preview
| Coordinates | 1556086.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [Ag10H8(dppa)6](BF4)2 |
|---|---|
| Formula | C148 H134 Ag10 B2 Cl8 F8 N6 P12 |
| Calculated formula | C148 H134 Ag10 B2 Cl8 F8 N6 P12 |
| SMILES | [B](F)(F)(F)[F-].c1(ccccc1)[P]1(c2ccccc2)N[P]([Ag]2345[Ag]6789[P](N[P]([Ag]%10%1127[Ag]27%129[Ag]938([P](N[P]6(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)[Ag]368%12[P](N[P]([Ag]%12%13%143[P](N[P]([Ag]4%10%12([Ag]%1176%13[P](N[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[Ag]1598%14)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl |
| Title of publication | Structural characterization and gas-phase studies of the [Ag10H8(L)6]2+ nanocluster dication |
| Authors of publication | Ma, Howard Z.; McKay, Alasdair I.; Mravak, Antonija; Scholz, Michael S.; White, Jonathan M.; Mulder, Roger J.; Bieske, Evan J.; Bonačić-Koutecký, Vlasta; O'Hair, Richard A. J. |
| Journal of publication | Nanoscale |
| Year of publication | 2019 |
| a | 28.1498 ± 0.0007 Å |
| b | 17.1737 ± 0.0003 Å |
| c | 30.4308 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 14711.4 ± 0.6 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 8 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1637 |
| Residual factor for significantly intense reflections | 0.121 |
| Weighted residual factors for significantly intense reflections | 0.3062 |
| Weighted residual factors for all reflections included in the refinement | 0.3495 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242767 (current) | 2019-11-26 | cif/ Adding structures of 1556086, 1556087, 1556088, 1556089, 1556090, 1556091 via cif-deposit CGI script. |
1556086.cif |
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