Information card for entry 1556091

Structure parameters

• Chemical name: [Ag3Cl2(dppa)3](BF4)
• Formula: C72 H63 Ag3 B Cl2 F4 N3 P6
• Calculated formula: C72 H63 Ag3 B Cl2 F4 N3 P6
• 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: 13.9166 ± 0.0002 Å
• b: 26.445 ± 0.0004 Å
• c: 19.7632 ± 0.0003 Å
• α: 90°
• β: 103.535 ± 0.0015°
• γ: 90°
• Cell volume: 7071.35 ± 0.19 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No