Information card for entry 2013539

Structure parameters

• Chemical name: tetrakis(5-methyl-1H-imidazole-κN^3^)copper(II) trifluoromethanesulfonate
• Formula: C18 H24 Cu F6 N8 O6 S2
• Calculated formula: C18 H24 Cu F6 N8 O6 S2
• SMILES: [Cu]([n]1c[nH]c(c1)C)([n]1cc([nH]c1)C)([n]1c[nH]c(c1)C)[n]1c[nH]c(c1)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: The effects of substitution on tetrakis(substituted imidazole)copper(II) trifluoromethanesulfonates
• Authors of publication: Wang, Hai-Ying; Liu, Shyh-Jiun; Wang, Ru-Ji; Su, Chan-Cheng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m512 - m515
• a: 16.4 ± 0.003 Å
• b: 10.174 ± 0.002 Å
• c: 17.016 ± 0.003 Å
• α: 90°
• β: 95.5 ± 0.03°
• γ: 90°
• Cell volume: 2826.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1068
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes