Information card for entry 4119837

Structure parameters

• Formula: C94 H112 Cu2 F12 N8 O30 Rh4 S4
• Calculated formula: C94 H112 Cu2 F12 N8 O30 Rh4 S4
• SMILES: c12c(cccc1)N1C3=[O][Rh]45678([n]9ccc(cc9)C=Cc9cc[n](cc9)[Rh]9%10%11%12%13([O]=C%14C(=[O]9)O[Cu]9%15(N%14c%14c(cccc%14)N9C9=[O][Rh]%14%16%17%18([n]%19ccc(cc%19)C=Cc%19cc[n](cc%19)[Rh]%19%20%21%22%23([O]=C%24C(=[O]%19)O[Cu]1(N2%24)([OH]C)OC3=[O]4)[c]1([c]%20([c]%21([c]%22([c]%231C)C)C)C)C)([O]=C9O%15)[c]1([c]%18([c]%17([c]%16([c]%141C)C)C)C)C)[OH]C)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].CO.CO.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].CO.CO
• Title of publication: Cp*Rh-Based Heterometallic Metallarectangles: Size-Dependent Borromean Link Structures and Catalytic Acyl Transfer
• Authors of publication: Sheng-Li Huang; Yue-Jian Lin; T. S. Andy Hor; Guo-Xin Jin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 8125 - 8128
• a: 9.7233 ± 0.0001 Å
• b: 16.49 ± 0.0002 Å
• c: 34.7166 ± 0.0004 Å
• α: 90°
• β: 94.394 ± 0.001°
• γ: 90°
• Cell volume: 5550 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No