Information card for entry 1519634

Structure parameters

• Formula: C63.2 H72.55 I6 N13.06 Zn3
• Calculated formula: C63.197 H72.553 I6 N13.062 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: 35.1081 ± 0.0009 Å
• b: 14.6516 ± 0.0002 Å
• c: 31.3279 ± 0.0008 Å
• α: 90°
• β: 101.649 ± 0.002°
• γ: 90°
• Cell volume: 15782.8 ± 0.6 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: 0.0829
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No