Information card for entry 4125457

Structure parameters

• Formula: C105 H111 F12 N8 O30 Rh4 S4
• Calculated formula: C102 H89 F12 N8 O26 Rh4 S4
• Title of publication: Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.
• Authors of publication: Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 4
• Pages of publication: 1653 - 1660
• a: 16.0557 ± 0.0014 Å
• b: 35.685 ± 0.003 Å
• c: 21.5588 ± 0.0018 Å
• α: 90°
• β: 109.033 ± 0.001°
• γ: 90°
• Cell volume: 11676.8 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No