Information card for entry 7701916

Structure parameters

• Formula: C21 H21 Br8 Cu5 N6
• Calculated formula: C21 H21 Br8 Cu5 N6
• Title of publication: Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.
• Authors of publication: Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 20
• Pages of publication: 6965 - 6972
• a: 13.5959 ± 0.001 Å
• b: 14.1298 ± 0.001 Å
• c: 17.0928 ± 0.0011 Å
• α: 90°
• β: 100.016 ± 0.006°
• γ: 90°
• Cell volume: 3233.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No