Information card for entry 7040040

Structure parameters

• Formula: C166 H228 Cl16 F24 N24 O43 Rh8 S8
• Calculated formula: C157 H176 F21 N24 O38 Rh8 S7
• Title of publication: Self-assembled half-sandwich polyhedral cages via flexible Schiff-base ligands: an unusual macrocycle-to-cage conversion.
• Authors of publication: Liu, Jing-Jing; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 13675 - 13679
• a: 17.939 ± 0.0007 Å
• b: 33.1198 ± 0.0013 Å
• c: 36.5625 ± 0.0016 Å
• α: 90°
• β: 103.848 ± 0.002°
• γ: 90°
• Cell volume: 21091.7 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.159
• Residual factor for significantly intense reflections: 0.147
• Weighted residual factors for significantly intense reflections: 0.3532
• Weighted residual factors for all reflections included in the refinement: 0.3591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No