Information card for entry 7229144

Structure parameters

• Formula: C18 H22 Cu I N4
• Calculated formula: C18 H22 Cu I 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: 8.866 ± 0.0012 Å
• b: 9.0619 ± 0.0012 Å
• c: 12.1365 ± 0.0016 Å
• α: 91.656 ± 0.002°
• β: 97.796 ± 0.002°
• γ: 101.32 ± 0.002°
• Cell volume: 945.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No