Information card for entry 4511069

Structure parameters

• Formula: C63 H69 N12 O27 Zn4
• Calculated formula: C63 H69 N12 O27 Zn4
• Title of publication: Six Three-Dimensional Metal−Organic Frameworks with (3,4)-, (4,5)-, and (3,4,5)-Connected Nets Based on Mixed Ligands: Synthesis, Structures, and Adsorption Properties
• Authors of publication: Xue, Ming; Zhu, Guangshan; Ding, Hong; Wu, Lei; Zhao, Xiaojun; Jin, Zhao; Qiu, Shilun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 1481
• a: 21.632 ± 0.004 Å
• b: 14.084 ± 0.003 Å
• c: 25.794 ± 0.005 Å
• α: 90°
• β: 106.27 ± 0.03°
• γ: 90°
• Cell volume: 7544 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0987
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No