Information card for entry 4335690

Structure parameters

• Formula: C124 H108 F12 N8 O26 Ru4 S4
• Calculated formula: C124 H104 F12 N8 O26 Ru4 S4
• SMILES: C(F)(F)(F)S(=O)(=O)[O-].c1[n]2ccc(C#Cc3ccc(NC(=O)c4ccc(cc4)C(=O)Nc4ccc(cc4)C#Cc4cc[n](cc4)[Ru]456789([c]%10([cH]4[cH]5[c]6([cH]7[cH]8%10)C(C)C)C)Oc4cc5c(cc4O9)O[Ru]46789([c]%10([cH]4[cH]6[c]7([cH]8[cH]9%10)C(C)C)C)([n]4ccc(C#Cc6ccc(NC(=O)c7ccc(cc7)C(=O)Nc7ccc(cc7)C#Cc7cc[n](cc7)[Ru]789%10%11%12(Oc%13cc%14c(cc%13O7)O[Ru]7%13%15%16%172(O%14)[c]2([cH]7[cH]%13[c]%15([cH]%16[cH]%172)C(C)C)C)[c]2([cH]8[cH]9[c]%10([cH]%11[cH]%122)C(C)C)C)cc6)cc4)O5)cc3)c1.C(F)(F)(F)S(=O)(=O)[O-].O.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].O
• Title of publication: Synthesis and Characterization of Self-Assembled Nanoscopic Metallarectangles Capable of Binding Fullerenes with Size-Selective Responses
• Authors of publication: Anurag Mishra; Hyunji Jung; Min Hyung Lee; Myoung Soo Lah; Ki-Whan Chi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8573 - 8578
• a: 24.3 ± 0.03 Å
• b: 10.242 ± 0.013 Å
• c: 24.98 ± 0.03 Å
• α: 90°
• β: 108.16 ± 0.04°
• γ: 90°
• Cell volume: 5907 ± 13 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2392
• Residual factor for significantly intense reflections: 0.1819
• Weighted residual factors for significantly intense reflections: 0.4658
• Weighted residual factors for all reflections included in the refinement: 0.4952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.706
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No