Information card for entry 4337674

Structure parameters

• Formula: C18 H10 Cu2 F4 N6
• Calculated formula: C18 H10 Cu2 F4 N6
• Title of publication: Electrochemically Directed Synthesis of Cu2(I)(TCNQF4(II-))(MeCN)2 (TCNQF4 = 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane): Voltammetry, Simulations, Bulk Electrolysis, Spectroscopy, Photoactivity, and X-ray Crystal Structure of the Cu2(I)(TCNQF4(II-))(EtCN)2 Analogue.
• Authors of publication: Le, Thanh H.; Nafady, Ayman; Vo, Nguyen T.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Abrahams, Brendan F.; Martin, Lisandra L.; Bond, Alan M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 3230 - 3242
• a: 10.0785 ± 0.0006 Å
• b: 7.5317 ± 0.0003 Å
• c: 12.8559 ± 0.0008 Å
• α: 90°
• β: 110.743 ± 0.007°
• γ: 90°
• Cell volume: 912.61 ± 0.1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No