Information card for entry 7009268

Structure parameters

• Formula: C44 H68 Cu4 N10 S8 W
• Calculated formula: C44 H68 Cu4 N10 S8 W
• Title of publication: Two novel anion cluster compounds with a planar 'open' structure [Et4N]2[MS4Cu4(SCN)4(2-pic)4] (M = W, Mo; 2-pic = 2-methylpyridine): synthesis, structural characterization, nonlinear response and large optical limiting properties
• Authors of publication: Zhang, Chi; Song, Yinglin; Jin, Guocheng; Fang, Guangyu; Wang, Yuxiao; Raj, S. Shanmuga Sundara; Fun, Hoong-Kun; Xin, Xinquan
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 8
• Pages of publication: 1317
• a: 14.6982 ± 0.0001 Å
• b: 14.6793 ± 0.0001 Å
• c: 28.3219 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6110.71 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No