Information card for entry 7229923

Structure parameters

• Formula: C16 H32 Br2 Cu6 I6 N4
• Calculated formula: C16 H32 Br2 Cu6 I6 N4
• Title of publication: A pillared-layered copper(i) halide-based metal‒organic framework exhibiting dual emission, and piezochromic and thermochromic properties with a large temperature-dependent emission red-shift
• Authors of publication: Xin, Bingjing; Sang, Jianwei; Gao, Yi; Li, Guanghua; Shi, Zhan; Feng, Shouhua
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 1973
• a: 9.856 ± 0.002 Å
• b: 9.951 ± 0.002 Å
• c: 10.625 ± 0.002 Å
• α: 62.77 ± 0.03°
• β: 64.9 ± 0.03°
• γ: 84.22 ± 0.03°
• Cell volume: 833.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No