Information card for entry 7235484

Structure parameters

• Formula: C64 H80 N18 O21 S2 Zn3
• Calculated formula: C64 H78 N18 O21 S2 Zn3
• Title of publication: Syntheses, structures and properties of two zinc coordination polymers based on bis(triazole) and sulfoisophthalate
• Authors of publication: Li, Min; Peng, Yan-Fen; Zhao, Shan; Li, Bao-Long; Li, Hai-Yan
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 27
• Pages of publication: 14241
• a: 9.691 ± 0.002 Å
• b: 14.157 ± 0.004 Å
• c: 16.055 ± 0.004 Å
• α: 107.408 ± 0.004°
• β: 99.937 ± 0.003°
• γ: 104.264 ± 0.003°
• Cell volume: 1963.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No