Information card for entry 4513163

Structure parameters

• Formula: C30 H32 Br2 Cu2 N6 O2 S2
• Calculated formula: C30 H32 Br2 Cu2 N6 O2 S2
• 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: 16.446 ± 0.005 Å
• b: 7.763 ± 0.005 Å
• c: 13.69 ± 0.005 Å
• α: 90°
• β: 94.214 ± 0.005°
• γ: 90°
• Cell volume: 1743.1 ± 1.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• 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: 0.031
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No