Information card for entry 4106259

Structure parameters

• Formula: C205 H108 B8 Ba4 Cl6 F144 N8 O21
• Calculated formula: C205 H108 B8 Ba4 Cl6 F144 N8 O21
• Title of publication: Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity
• Authors of publication: Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 9069 - 9087
• a: 16.9523 ± 0.0005 Å
• b: 19.1265 ± 0.0006 Å
• c: 41.6284 ± 0.0014 Å
• α: 100.694 ± 0.002°
• β: 94.116 ± 0.002°
• γ: 114.585 ± 0.001°
• Cell volume: 11891.9 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No