Information card for entry 4344458

Structure parameters

• Common name: dodecafluorido_dodecaboranate(-2)
• Chemical name: Bis(cobaltocenium)_dodecafluorido_dodecaboranate_aceton
• Formula: C23 H20 B12 Co2 F12 O
• Calculated formula: C23 H20 B12 Co2 F12 O
• Title of publication: Jahn-Teller Effect in the B12F12 Radical Anion and Energetic Preference of an Octahedral B6(BF2)6 Cluster Structure over an Icosahedral Structure for the Elusive Neutral B12F12.
• Authors of publication: Malischewski, Moritz; Bukovsky, Eric V.; Strauss, Steven H.; Seppelt, Konrad
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 11563 - 11566
• a: 19.6 ± 0.02 Å
• b: 19.585 ± 0.019 Å
• c: 16.583 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6366 ± 10 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No