Information card for entry 7229145

Structure parameters

• Formula: C56 H56 Cu4 I4 N16
• Calculated formula: C56 H56 Cu4 I4 N16
• 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: 17.421 ± 0.007 Å
• b: 15.653 ± 0.006 Å
• c: 23.368 ± 0.009 Å
• α: 90°
• β: 105.588 ± 0.005°
• γ: 90°
• Cell volume: 6138 ± 4 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: 0.0703
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No