Information card for entry 1544199

Structure parameters

• Formula: C60 H55 B2 F8 N6 O2 Pd
• Calculated formula: C60 H55 B2 F8 N6 O2 Pd
• Title of publication: Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.
• Authors of publication: Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 85 - 90
• a: 13.2547 ± 0.0002 Å
• b: 14.2678 ± 0.0003 Å
• c: 15.5271 ± 0.0003 Å
• α: 95.506 ± 0.007°
• β: 93.223 ± 0.007°
• γ: 105.522 ± 0.007°
• Cell volume: 2805.98 ± 0.14 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.2357
• Weighted residual factors for all reflections included in the refinement: 0.2542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No