Information card for entry 4517669

Structure parameters

• Formula: C36 H24 N O12 Zn1.5
• Calculated formula: C36 H24 N O12 Zn1.5
• 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: 7.9189 ± 0.0008 Å
• b: 12.9658 ± 0.0014 Å
• c: 16.808 ± 0.0017 Å
• α: 103.514 ± 0.004°
• β: 99.627 ± 0.004°
• γ: 97.373 ± 0.004°
• Cell volume: 1628.9 ± 0.3 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 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: 0.0955
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No