Information card for entry 4065264

Structure parameters

• Formula: C36 H40 F16 N4 O14 S4 Zn2
• Calculated formula: C36 H40 F16 N4 O14 S4 Zn2
• SMILES: C(F)(F)(F)S(=O)(=O)O[Zn]1([NH2]c2ccc(cc2)F)([NH2]c2ccc(F)cc2)([O]=S(C(F)(F)F)(O[Zn]([NH2]c2ccc(cc2)F)([NH2]c2ccc(F)cc2)([O]=S(C(F)(F)F)(O1)=O)(OS(=O)(=O)C(F)(F)F)[O]1CCCC1)=O)[O]1CCCC1
• Title of publication: One-Pot Synthesis and Unpredicted Hydrogen Bonds of the Guanidinium Triflates from Readily Available Amines, Carbodiimides, and Zn(OTf)2
• Authors of publication: Li, Dongzhen; Wang, Yang; Zhang, Wen-Xiong; Zhang, Shaoguang; Guang, Jie; Xi, Zhenfeng
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 19
• Pages of publication: 5278
• a: 10.61 ± 0.002 Å
• b: 11.128 ± 0.002 Å
• c: 11.191 ± 0.002 Å
• α: 67.54 ± 0.03°
• β: 80.01 ± 0.03°
• γ: 87.03 ± 0.03°
• Cell volume: 1202.4 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No