Information card for entry 1519635

Structure parameters

• Formula: C60.26 H61.53 I6 N14 Zn3
• Calculated formula: C60.2635 H61.526 I6 N14 Zn3
• Title of publication: Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method
• Authors of publication: Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 3765
• a: 35.2721 ± 0.0009 Å
• b: 14.6427 ± 0.0002 Å
• c: 31.6037 ± 0.0009 Å
• α: 90°
• β: 102.029 ± 0.002°
• γ: 90°
• Cell volume: 15964.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.2139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No