Information card for entry 7245876

Structure parameters

• Formula: C39 H45 N3 O9 S3 Zn
• Calculated formula: C39 H45 N3 O9 S3 Zn
• Title of publication: Structural characterization and solvent vapor sorption of two solvent-dependent Zn(ii) supramolecular architectures based on a flexible tripodal thioether-based pyridyl ligand and a dicarboxylate-based ligand
• Authors of publication: Wang, Chih-Chieh; Chung, Yu-Chen; Liu, Chuan-Yien; Lee, Gene-Hsiang; Chien, Su-Ying; Chen, Bo-Hao; Chuang, Yu-Chun
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 2
• Pages of publication: 290 - 298
• a: 16.4499 ± 0.0007 Å
• b: 25.8927 ± 0.0011 Å
• c: 9.3733 ± 0.0004 Å
• α: 90°
• β: 90.8495 ± 0.0012°
• γ: 90°
• Cell volume: 3992 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2575
• Weighted residual factors for all reflections included in the refinement: 0.2677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No