Information card for entry 7009593

Structure parameters

• Formula: C20 H40 Cu4 Mo N6 S4
• Calculated formula: C20 H40 Cu4 Mo N6 S4
• Title of publication: Studies on two interesting microporous polymeric clusters {[Et4N]2[MS4Cu4(CN)4]}n (M = Mo or W) with three-dimensional open frameworks: synthesis, structural characterization, strong optical non-linearities and large optical limiting properties
• Authors of publication: Zhang, Chi; Song, Yinglin; Xu, Yan; Fun, Hoongkun; Fang, Guangyu; Wang, Yuxiao; Xin, Xinquan
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 2823
• a: 10.9696 ± 0.0002 Å
• b: 23.0792 ± 0.0005 Å
• c: 23.3276 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5905.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No