Information card for entry 1519637

Structure parameters

• Formula: C87.64 H68.04 I12 N24 S0.62 Zn6
• Calculated formula: C87.61 H68.024 I12 N24 S0.622 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: 34.4391 ± 0.0011 Å
• b: 15.0959 ± 0.0003 Å
• c: 29.9556 ± 0.001 Å
• α: 90°
• β: 101.454 ± 0.003°
• γ: 90°
• Cell volume: 15263.4 ± 0.8 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: 0.1034
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.2307
• Weighted residual factors for all reflections included in the refinement: 0.2612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No