Information card for entry 4333359

Structure parameters

• Formula: C40 H46 Cu6 I3 N9 O7 S6 W2
• Calculated formula: C40 H46 Cu6 I3 N9 O7 S6 W2
• Title of publication: Porous Nonlinear-Optical Material Based on a Twin-Nest-Shaped Heterothiometallic Cluster: {[NH4][W2O2S6Cu6I3(4,4‘-bipy)4]·5H2O}n
• Authors of publication: Huang, Kexuan; Song, Yinglin; Pan, Zhaorui; Li, Yizhi; Zhuo, Xin; Zheng, Hegen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6233 - 6235
• a: 17.927 ± 0.004 Å
• b: 24.839 ± 0.005 Å
• c: 16.881 ± 0.003 Å
• α: 90°
• β: 103.615 ± 0.003°
• γ: 90°
• Cell volume: 7306 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No