Information card for entry 7120860

Structure parameters

• Formula: C8 H7 Br Cu N6
• Calculated formula: C8 H7 Br Cu N6
• Title of publication: From Helix to Helical Pores: Solid-state Crystalline Conversions Triggered by Gas-Solid Reactions
• Authors of publication: Liu, Jie; Du, Jia-Jia; Wu, Yuan; Zhao, Yi-Fang; Zhou, Xiao-Ping; Li, Dan
• Journal of publication: Chemical Communications
• Year of publication: 2017
• a: 28.521 ± 0.0007 Å
• b: 28.521 ± 0.0007 Å
• c: 9.6037 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6765.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No