Information card for entry 4125454

Structure parameters

• Formula: C45 H55 F6 N5 O15 Rh2 S2
• Calculated formula: C45 H55 F6 N5 O15 Rh2 S2
• SMILES: [Rh]12345([O]=C6N(O1)C(=O)c1c7c6ccc6c7c(cc1)C(=O)N1O[Rh]789%10([O]=C61)([O]=CN(C)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)([O]=CN(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.C(=O)N(C)C
• 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: 12.043 ± 0.005 Å
• b: 14.846 ± 0.006 Å
• c: 15.764 ± 0.007 Å
• α: 71.267 ± 0.007°
• β: 78.309 ± 0.007°
• γ: 78.41 ± 0.007°
• Cell volume: 2585.6 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1626
• Residual factor for significantly intense reflections: 0.1094
• Weighted residual factors for significantly intense reflections: 0.2769
• Weighted residual factors for all reflections included in the refinement: 0.3513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No