Information card for entry 4517665

Structure parameters

• Formula: C16 H11 F3 N O2 Zn0.5
• Calculated formula: C16 H11 F3 N O2 Zn0.5
• Title of publication: Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.
• Authors of publication: Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 24141 - 24148
• a: 29.1423 ± 0.0011 Å
• b: 5.7957 ± 0.0002 Å
• c: 18.3519 ± 0.0006 Å
• α: 90°
• β: 102.93 ± 0.001°
• γ: 90°
• Cell volume: 3021.04 ± 0.18 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 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: 0.0766
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No