Information card for entry 7033733

Structure parameters

• Chemical name: [(Me2DABCO)5(Cu15Br24)Br]
• Formula: C8 H18 Br25 Cu15 N2
• Calculated formula: C8 H17.94 Br25 Cu15 N2
• Title of publication: A perfectly aligned 63 helical tubular cuprous bromide single crystal for selective photo-catalysis, luminescence and sensing of nitro-explosives.
• Authors of publication: Yao, Ru-Xin; Hailili, Reshalaiti; Cui, Xin; Wang, Li; Zhang, Xian-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 7
• Pages of publication: 3410 - 3416
• a: 18.2711 ± 0.0008 Å
• b: 18.2711 ± 0.0008 Å
• c: 13.4431 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3886.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.1273
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.1882
• 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: Yes
• Has Fobs: No