Information card for entry 7115080

Structure parameters

• Formula: C30 H30 Cu4 I2 N6 S4 W
• Calculated formula: C30 H30 Cu4 I2 N6 S4 W
• Title of publication: A new approach to superior optical limiting materials—planar ‘open’ heterothiometallic clusters
• Authors of publication: Zhang, Chi; Song, Yinglin; Fung, B. M.; Xin, Xinquan; Xue, Ziling
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 843
• a: 22.6131 ± 0.0001 Å
• b: 23.0681 ± 0.0003 Å
• c: 30.8375 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16086.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No