Information card for entry 4513155

Structure parameters

• Formula: C40 H40 Cu2 N8 O2
• Calculated formula: C36 H28 Cu2 N8
• 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: 25.521 ± 0.004 Å
• b: 9.907 ± 0.0015 Å
• c: 7.4027 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1871.7 ± 0.5 ų
• Cell temperature: 152.98 ± 0.1 K
• Ambient diffraction temperature: 152.98 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No