Information card for entry 7021237

Structure parameters

• Formula: C72 H108 Ag8 B Br Cu6 F4
• Calculated formula: C72 H108 Ag8 Br Cu6
• Title of publication: Halide-ion-templated Ag8Cu6 rhombic dodecahedrons: synthesis, structure and reactivity of [Ag8Cu6(C[triple bond, length as m-dash]CtBu)12X]BF4 (X = Cl, Br).
• Authors of publication: Connell, Timothy U.; Sandanayake, Saman; Khairallah, George N.; White, Jonathan M.; O'Hair, Richard A J; Donnelly, Paul S.; Williams, Spencer J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 4903 - 4907
• a: 16.0762 ± 0.0006 Å
• b: 16.0762 ± 0.0006 Å
• c: 29.2165 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6539.2 ± 0.5 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No