Information card for entry 1512426

Structure parameters

• Formula: C46 H54 Cs F6 N O12 S2
• Calculated formula: C46 H54 Cs F6 N O12 S2
• SMILES: [Cs]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5c1c2cccc1Cc1cccc(c1OC(C)C)Cc1c6c(ccc1)Cc1c(OC(C)C)c(ccc1)C2)OS(=O)(=NS(=O)(=O)C(F)(F)F)C(F)(F)F
• Title of publication: Crystallization of cesium complex containing bis(2-propyloxy)calix[4]crown-6 and bis[(trifluoromethyl)sulfonyl]imide
• Authors of publication: Taoxiang Sun; Zheming Wang; Xinghai Shen
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 390
• Pages of publication: 8 - 11
• a: 10.6429 ± 0.0002 Å
• b: 13.5876 ± 0.0003 Å
• c: 17.5651 ± 0.0004 Å
• α: 86.2114 ± 0.0008°
• β: 87.9841 ± 0.0007°
• γ: 89.463 ± 0.001°
• Cell volume: 2532.93 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1034
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No