Information card for entry 1519639

Structure parameters

• Formula: C86.95 H64.82 I12 N24 O1.87 Zn6
• Calculated formula: C86.9504 H64.8192 I12 N24 O1.8688 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: 34.627 ± 0.004 Å
• b: 15.0818 ± 0.0016 Å
• c: 31.194 ± 0.003 Å
• α: 90°
• β: 102.792 ± 0.001°
• γ: 90°
• Cell volume: 15886 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.1088
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.224
• Weighted residual factors for all reflections included in the refinement: 0.2548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No