Information card for entry 4513162

Structure parameters

• Formula: C34 H51 Cu2 N13 O8
• Calculated formula: C20 H10 Cu2 N10
• 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: 11.0071 ± 0.0004 Å
• b: 7.6667 ± 0.0002 Å
• c: 14.9346 ± 0.0004 Å
• α: 90°
• β: 103.846 ± 0.003°
• γ: 90°
• Cell volume: 1223.68 ± 0.07 ų
• Cell temperature: 250 ± 0.1 K
• Ambient diffraction temperature: 250 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 10
• Hermann-Mauguin space group symbol: P 1 2/m 1
• Hall space group symbol: -P 2y
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No