Information card for entry 4513161

Structure parameters

• Formula: C18 H12 Cu2 N6
• Calculated formula: C18 H12 Cu2 N6
• 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: 7.542 ± 0.0015 Å
• b: 13.738 ± 0.003 Å
• c: 16.532 ± 0.003 Å
• α: 90°
• β: 97.15 ± 0.03°
• γ: 90°
• Cell volume: 1699.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No