Information card for entry 7701623

Structure parameters

• Formula: C60 H76 B2 Mg O6 S6
• Calculated formula: C60 H76 B2 Mg O6 S6
• Title of publication: The crystal structure of [Mg(dmso)₆][BPh₄]₂ and the formation mechanism of the conformer on the basis of conformational analysis.
• Authors of publication: Sakiyama, Hiroshi; Shomura, Kaoru; Ito, Misaki; Waki, Katsushi; Yamasaki, Mikio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 27
• Pages of publication: 10174 - 10179
• a: 17.8083 ± 0.00009 Å
• b: 17.8083 ± 0.00009 Å
• c: 19.49485 ± 0.00015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6182.51 ± 0.06 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No