Information card for entry 1556086

Structure parameters

• 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 ų
• 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