Information card for entry 4324930

Structure parameters

• Formula: C36 H82 B44 F44 Hg2 N4 O
• Calculated formula: C36 H82 B44 F44 Hg2 N4 O
• Title of publication: Salts of the Lewis-Acidic Dianion [Hg(closo-1-CB11F11)2]2-: Coordination of Acetonitrile and Water
• Authors of publication: Alexander Himmelspach; Manfred Zähres; Maik Finze
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3186 - 3188
• a: 11.3347 ± 0.0005 Å
• b: 32.344 ± 0.003 Å
• c: 22.6802 ± 0.0011 Å
• α: 90°
• β: 92.366 ± 0.004°
• γ: 90°
• Cell volume: 8307.7 ± 0.9 ų
• Cell temperature: 107 ± 2 K
• Ambient diffraction temperature: 107 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No