Information card for entry 7220168

Structure parameters

• Formula: C20 H38 Br2 Cu6 I6 N6
• Calculated formula: C20 H38 Br2 Cu6 I6 N6
• Title of publication: Reversible photoluminescence switching behavior and luminescence thermochromism of copper (І) halide cluster coordination polymers
• Authors of publication: Zeng, Guang; Xing, Shanghua; Han, Xu; Xin, Bingjing; Yang, Yulin; Wang, Xiuru; Li, Guanghua; Shi, Zhan; Feng, Shouhua
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.027 ± 0.003 Å
• b: 13.637 ± 0.003 Å
• c: 20.343 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3891.3 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1513
• 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