Information card for entry 7121795

Structure parameters

• Formula: C65 H53 B Ca F20 N2
• Calculated formula: C65 H53 B Ca F20 N2
• Title of publication: Highly Lewis acidic cationic alkaline earth metal complexes.
• Authors of publication: Pahl, Jürgen; Brand, Steffen; Elsen, Holger; Harder, Sjoerd
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 63
• Pages of publication: 8685 - 8688
• a: 15.4894 ± 0.0002 Å
• b: 16.6388 ± 0.0002 Å
• c: 22.8557 ± 0.0003 Å
• α: 90°
• β: 94.347 ± 0.001°
• γ: 90°
• Cell volume: 5873.54 ± 0.13 ų
• Cell temperature: 100 ± 0.19 K
• Ambient diffraction temperature: 100 ± 0.19 K
• Number of distinct elements: 6
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No