Information card for entry 1519636

Structure parameters

• Formula: C84.5 H64 I12.04 N24 S0.5 Zn6
• Calculated formula: C84.5 H64 I12.036 N24 S0.5 Zn6
• 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: 34.8299 ± 0.0007 Å
• b: 14.9133 ± 0.0002 Å
• c: 31.5387 ± 0.0006 Å
• α: 90°
• β: 102.403 ± 0.002°
• γ: 90°
• Cell volume: 15999.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1854
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No