Information card for entry 4509536

Structure parameters

• Formula: C20 H21 N4 O4 Zn
• Calculated formula: C20 H21 N4 O4 Zn
• Title of publication: Three Unprecedented Entangled Metal−Organic Frameworks: Self-Penetration and Hydrothermal in Situ Ligand Formation
• Authors of publication: Sun, Li-Xin; Qi, Yan; Che, Yun-Xia; Batten, Stuart R.; Zheng, Ji-Min
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 2995
• a: 8.2795 ± 0.0017 Å
• b: 12.504 ± 0.003 Å
• c: 19.464 ± 0.005 Å
• α: 90°
• β: 108.73 ± 0.03°
• γ: 90°
• Cell volume: 1908.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0462
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No