Information card for entry 7044811

Structure parameters

• Formula: C20 H18 Br Cu N3 O4
• Calculated formula: C20 H18 Br Cu N3 O4
• Title of publication: Syntheses, structures, and magnetic properties of two unique Cu(II)-based coordination polymers involving crystal-to-crystal structural transformation from 1D chain to 3D network
• Authors of publication: Yang, Xu-Feng; Liu, Min; Zhu, Hai-Bin; Hang, Cheng; Zhao, Yue
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 32.4787 ± 0.0016 Å
• b: 32.4787 ± 0.0016 Å
• c: 10.5745 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9660.2 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No