Information card for entry 4085240

Structure parameters

• Formula: C6 H60 B66 Cs5.96 Hg3 I6
• Calculated formula: C6 H60 B66 Cs5.96 Hg3 I6
• Title of publication: Salts of the Dianions [Hg(12-X-closo-1-CB11H10)2]2‒(X = I, C≡CH, C≡CFc, C≡CSiiPr3): Synthesis and Spectroscopic and Structural Characterization
• Authors of publication: Himmelspach, Alexander; Warneke, Jonas; Schäfer, Marius; Hailmann, Michael; Finze, Maik
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 462
• a: 25.36 ± 0.004 Å
• b: 25.36 ± 0.004 Å
• c: 11.528 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6420.7 ± 1.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 190
• Hermann-Mauguin space group symbol: P -6 2 c
• Hall space group symbol: P -6c -2c
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No