Information card for entry 7212154

Structure parameters

• Formula: C34 H52 N12 O12 S Zn
• Calculated formula: C34 H52 N12 O12 S Zn
• Title of publication: Sulfate encapsulation in three-fold interpenetrated metal‒organic frameworks with bis(pyridylurea) ligands
• Authors of publication: Wu, Biao; Liang, Jianjun; Zhao, Yuxin; Li, Minrui; Li, Shaoguang; Liu, Yanyan; Zhang, Yongping; Yang, Xiao-Juan
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 2129
• a: 12.61 ± 0.003 Å
• b: 23.552 ± 0.006 Å
• c: 14.121 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4193.8 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No