Information card for entry 4338121

Structure parameters

• Formula: C14 H14 N4 O4 Zn
• Calculated formula: C14 H14 N4 O4 Zn
• Title of publication: A Highly Stable 3D Acentric Zinc Metal-Organic Framework Based on Two Symmetrical Flexible Ligands: High Second-Harmonic-Generation Efficiency and Tunable Photoluminescence.
• Authors of publication: Guo, Jin-Shuang; Xu, Gang; Jiang, Xiao-Ming; Zhang, Ming-Jian; Liu, Bin-Wen; Guo, Guo-Cong
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4278 - 4280
• a: 15.481 ± 0.002 Å
• b: 12.2437 ± 0.0011 Å
• c: 9.4722 ± 0.0013 Å
• α: 90°
• β: 118.609 ± 0.005°
• γ: 90°
• Cell volume: 1576.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No