Information card for entry 4111917

Structure parameters

• Common name: {[Mn(bptz)(CH3CN)2][BF4]2}%ψ1.5nCH3CN
• Formula: C38 H37 B4 F16 Mn2 N19
• Calculated formula: C38 H37 B4 F16 Mn2 N19
• Title of publication: Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes
• Authors of publication: Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 12909 - 12923
• a: 9.135 ± 0.0018 Å
• b: 10.859 ± 0.002 Å
• c: 14.631 ± 0.003 Å
• α: 99.48 ± 0.03°
• β: 107.53 ± 0.03°
• γ: 102.27 ± 0.03°
• Cell volume: 1311 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1226
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No