Information card for entry 4513381

Structure parameters

• Formula: C26 H18 N10 O4 Zn2
• Calculated formula: C26 H18 N10 O4 Zn2
• Title of publication: Two New Nonlinear Optical and Ferroelectric Zn(II) Compounds Based on Nicotinic Acid and Tetrazole Derivative Ligands
• Authors of publication: Liu, Dong-Sheng; Sui, Yan; Chen, Wen-Tong; Feng, Pingyun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 4020
• a: 14.441 ± 0.003 Å
• b: 10.325 ± 0.002 Å
• c: 8.9596 ± 0.0018 Å
• α: 90°
• β: 96.25 ± 0.03°
• γ: 90°
• Cell volume: 1328 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No