Information card for entry 4122872

Structure parameters

• Formula: C131 H180 F15 N16 O51 Rh9 S5
• Calculated formula: C126 H156 N16 O24 Rh9
• SMILES: c12c3c[n](ccc3)[Rh]3456([O]=C7c8c9C%10=[O][Rh]%11%12%13%14%15(n9c(c9c[n](ccc9)[Rh]9%16%17%18([O]=C%19c%20c%21C(=[O][Rh]%22%23%24%25%26(OC%27=[O][Rh]%28%29%30%31(n1c%27c1C(=[O][Rh]%27%32%33%34(ON(=O)=O)([n]%35cc(c(n%21%22)[n]%20[Rh]%20%21%22%36([N]#CC)(O%19)[c]%19([c]%20([c]%21([c]%22([c]%36%19C)C)C)C)C)ccc%35)[c]%19([c]%27(C)[c]%32([c]%33([c]%34%19C)C)C)C)O[Rh]%19%20%21%22([n]21)([N]#CC)[c]1([c]%19([c]%20([c]%21([c]%221C)C)C)C)C)(O%10)[c]1([c]%31([c]%30([c]%29(C)[c]%281C)C)C)C)[c]1([c]%26([c]%25([c]%24([c]%231C)C)C)C)C)O%11)(ON(=O)=O)[c]1([c]9([c]%16([c]%17([c]%181C)C)C)C)C)[n]8[Rh]1289([N]#CC)(O7)[c]7([c]1([c]2([c]8([c]97C)C)C)C)C)[c]1([c]%15([c]%14([c]%13([c]%121C)C)C)C)C)(ON(=O)=O)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.N(=O)(=O)[O-]
• Title of publication: Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.
• Authors of publication: Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 44
• Pages of publication: 15521 - 15524
• a: 22.644 ± 0.0015 Å
• b: 22.644 ± 0.0015 Å
• c: 20.7045 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9193.9 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No