Information card for entry 7021413

Structure parameters

• Formula: C12 H24 Cu4 I6 N4
• Calculated formula: C11.88 Cu4 I6.03 N4
• Title of publication: An unusual copper(i) halide-based metal-organic framework with a cationic framework exhibiting the release/adsorption of iodine, ion-exchange and luminescent properties.
• Authors of publication: Xin, Bingjing; Zeng, Guang; Gao, Lu; Li, Yun; Xing, Shanghua; Hua, Jia; Li, Guanghua; Shi, Zhan; Feng, Shouhua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 21
• Pages of publication: 7562 - 7568
• a: 13.9152 ± 0.0016 Å
• b: 13.9152 ± 0.0016 Å
• c: 13.9152 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2694.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 229
• Hermann-Mauguin space group symbol: I m -3 m
• Hall space group symbol: -I 4 2 3
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No