Information card for entry 7044810

Structure parameters

• Formula: C34 H24 Br2 Cu N4 O6
• Calculated formula: C34 H24 Br2 Cu N4 O6
• 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: 11.154 ± 0.002 Å
• b: 27.447 ± 0.006 Å
• c: 11.822 ± 0.003 Å
• α: 90°
• β: 118.042 ± 0.006°
• γ: 90°
• Cell volume: 3194.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1253
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1527
• 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