Information card for entry 7227031

Structure parameters

• Formula: C23 H22 Br2 Cu2 N4
• Calculated formula: C23 H22 Br2 Cu2 N4
• Title of publication: Synthesis, structure and multifunctional catalytic properties of Cu(I)-coordination polymer with outer-hanging CuBr2
• Authors of publication: Dong, Yu-Bin; Zhu, Neng-Xiu; Zhao, Chao-Wei; Yang, Jing; Wang, Xue-Ru; Ma, Jian-Ping
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.749 ± 0.003 Å
• b: 10.987 ± 0.003 Å
• c: 11.774 ± 0.003 Å
• α: 68.908 ± 0.004°
• β: 64.794 ± 0.004°
• γ: 76.046 ± 0.004°
• Cell volume: 1167.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1236
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 0.783
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No