Information card for entry 4512889

Structure parameters

• Formula: C64 H64 N18 O21 Zn3
• Calculated formula: C64 H64 N18 O21 Zn3
• Title of publication: Construction of a Series of Zn(II) Compounds with Different Entangle Motifs by Varying Flexible Aliphatic Dicarboxylic Acids
• Authors of publication: Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Xin; Yao, Yuan-Gen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 2223
• a: 12.886 ± 0.0006 Å
• b: 16.4783 ± 0.0005 Å
• c: 18.2541 ± 0.0007 Å
• α: 80.202 ± 0.004°
• β: 86.039 ± 0.007°
• γ: 81.673 ± 0.006°
• Cell volume: 3775.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.086
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2385
• Weighted residual factors for all reflections included in the refinement: 0.2519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No