Information card for entry 1564101

Structure parameters

• Formula: C28 H36 Br2 Cu2 N4
• Calculated formula: C28 H36 Br2 Cu2 N4
• SMILES: [Br]1[Cu]2([n]3cc(C)cc(C)c3)([n]3cc(C)cc(C)c3)[Br][Cu]12([n]1cc(C)cc(C)c1)[n]1cc(C)cc(C)c1
• Title of publication: Synthesis, characterization, luminescence properties of copper(I) bromide based coordination compounds
• Authors of publication: Xu, Chanchan; Li, Yuzhe; Lv, Le; Lin, Fang; Lin, Feng; Zhang, Zhijuan; Luo, Chaoyun; Luo, Dawei; Liu, Wei
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 512
• Pages of publication: 119893
• a: 17.823 ± 0.011 Å
• b: 9.271 ± 0.006 Å
• c: 20.329 ± 0.013 Å
• α: 90°
• β: 114.054 ± 0.01°
• γ: 90°
• Cell volume: 3067 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No