Information card for entry 4340348

Structure parameters

• Formula: C75.5 H68 Ag3 B2 D F8 O0.5 P6
• Calculated formula: C75.5 H68 Ag3 B2 D F8 O0.5 P6
• Title of publication: Synthesis, Structural Characterization, and Gas-Phase Unimolecular Reactivity of the Silver Hydride Nanocluster [Ag3((PPh2)2CH2)3(μ3-H)](BF4)2.
• Authors of publication: Zavras, Athanasios; Khairallah, George N.; Connell, Timothy U.; White, Jonathan M.; Edwards, Alison J.; Mulder, Roger J.; Donnelly, Paul S.; O'Hair, Richard A J
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7429 - 7437
• a: 26.9665 ± 0.001 Å
• b: 13.219 ± 0.0004 Å
• c: 39.5373 ± 0.0008 Å
• α: 90°
• β: 96.589 ± 0.002°
• γ: 90°
• Cell volume: 14000.8 ± 0.7 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1652
• Residual factor for significantly intense reflections: 0.128
• Weighted residual factors for all reflections: 0.1491
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9993
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 0.85 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No