Information card for entry 4506548

Structure parameters

• Formula: C48 H64 N18 O26 Zn3
• Calculated formula: C48 H50 N18 O26 Zn3
• Title of publication: Structural Diversity for a Series of Novel Zn Metal‒Organic Frameworks Based on Different Secondary Building Units
• Authors of publication: Li, Huijun; Zhao, Bei; Ding, Ran; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4170
• a: 12.618 ± 0.003 Å
• b: 12.927 ± 0.003 Å
• c: 13.012 ± 0.003 Å
• α: 78.3 ± 0.03°
• β: 62.22 ± 0.03°
• γ: 62.07 ± 0.03°
• Cell volume: 1658.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.2311
• Weighted residual factors for all reflections included in the refinement: 0.2417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No