Information card for entry 4513156

Structure parameters

• Formula: C80 H120 Cu6 N28
• Calculated formula: C80 H120.44 Cu6 N28
• Title of publication: New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers
• Authors of publication: Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 2437
• a: 18.6921 ± 0.0004 Å
• b: 23.369 ± 0.0006 Å
• c: 22.3956 ± 0.0006 Å
• α: 90°
• β: 101.899 ± 0.003°
• γ: 90°
• Cell volume: 9572.5 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No