Information card for entry 7210287

Structure parameters

• Formula: C45 H34 N2 O12 Zn2
• Calculated formula: C45 H34 N2 O12 Zn2
• Title of publication: Construction of three-dimensional metal‒organic frameworks in the presence of a tetrahedral ligand and a secondary bidentate linker
• Authors of publication: Zhou, Lian; Xue, Yun-Shan; Zhang, Jun; Du, Hong-Bin; You, Xiao-Zeng
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 31
• Pages of publication: 6199
• a: 23.763 ± 0.003 Å
• b: 21.535 ± 0.002 Å
• c: 26.471 ± 0.003 Å
• α: 90°
• β: 97.687 ± 0.002°
• γ: 90°
• Cell volume: 13424 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1332
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1969
• Weighted residual factors for all reflections included in the refinement: 0.2146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No