Information card for entry 7229143

Structure parameters

• Formula: C10 H14 Cu2 I2 N4
• Calculated formula: C10 H14 Cu2 I2 N4
• Title of publication: Capture of volatile iodine by newly prepared and characterized non-porous [CuI]n-based coordination polymers
• Authors of publication: Tarassoli, Abbas; Nobakht, Valiollah; Baladi, Elham; CARLUCCI, LUCIA; Proserpio, Davide M.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 4.3887 ± 0.0007 Å
• b: 19.267 ± 0.003 Å
• c: 8.9217 ± 0.0015 Å
• α: 90°
• β: 91.73 ± 0.003°
• γ: 90°
• Cell volume: 754 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.294
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No