Information card for entry 4125458

Structure parameters

• Formula: C108 H118 F12 N8 O27 Rh4 S4
• Calculated formula: C104 H108 F12 N8 O26 Rh4 S4
• SMILES: c12c3c4C(=O)N5O[Rh]6789([n]%10ccc(cc%10)/C=C/c%10cc[n](cc%10)[Rh]%10%11%12%13%14([O]=C%15c%16c%17c%18c(cc%16)C%16N(O[Rh]%19%20%21%22([n]%23ccc(cc%23)/C=C/c%23cc[n](cc%23)[Rh]%23%24%25%26%27([O]=C%28c(cc1)c3c(cc4)C(=O)N%28O%23)[c]1([c]%24([c]%25([c]%26([c]%271C)C)C)C)C)([O]=%16)[c]1([c]%19([c]%20([c]%21([c]%221C)C)C)C)C)C(=O)c%18ccc%17C(=O)N%15O%10)[c]1([c]%11([c]%12([c]%13([c]%141C)C)C)C)C)([O]=C25)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].CCOCC.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].CCOCC
• 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: 40.736 ± 0.003 Å
• b: 14.9836 ± 0.0011 Å
• c: 24.2513 ± 0.0018 Å
• α: 90°
• β: 117.182 ± 0.001°
• γ: 90°
• Cell volume: 13167.5 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0816
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No