Information card for entry 7210973

Structure parameters

• Formula: C24 H24 Cu4 I2 N4 S4 W
• Calculated formula: C24 H24 Cu4 I2 N4 S4 W
• Title of publication: The synthesis, structure and third-order nonlinear optical effect of a new 2D cluster polymer based on a [WS4Cu4]2+ SBU and 1,2-di(pyridin-4-yl)ethane
• Authors of publication: Zhang, Ming-Dao; Qin, Ling; Yao, Xiao-Qiang; Yang, Qing-Xiang; Guo, Zi-Jian; Zheng, He-Gen
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 36
• Pages of publication: 7354
• a: 9.3967 ± 0.0003 Å
• b: 9.3967 ± 0.0003 Å
• c: 32.3703 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2858.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No