Information card for entry 4517668

Structure parameters

• Formula: C27 H23 N O9 Zn
• Calculated formula: C27 H23 N O9 Zn
• 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: 7.8226 ± 0.0004 Å
• b: 12.6076 ± 0.0006 Å
• c: 13.0421 ± 0.0007 Å
• α: 84.483 ± 0.002°
• β: 85.003 ± 0.002°
• γ: 76.073 ± 0.001°
• Cell volume: 1239.94 ± 0.11 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No