Information card for entry 4501004

Structure parameters

• Formula: C17 H18 N4 O7 S Zn
• Calculated formula: C17 H18 N4 O7 S Zn
• Title of publication: Spontaneous Resolution in the Ionothermal Synthesis of Homochiral Zn(II) Metal‒Organic Frameworks with (10,3)-aTopology Constructed from Achiral 5-Sulfoisophthalate
• Authors of publication: Liu, Qing-Yan; Wang, Yu-Ling; Zhang, Na; Jiang, Yun-Liang; Wei, Jia-Jia; Luo, Feng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 3717
• a: 8.1331 ± 0.0006 Å
• b: 14.6556 ± 0.001 Å
• c: 16.8257 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2005.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No