Information card for entry 7212730

Structure parameters

• Formula: C40 H0 Ag4 N16 O40 Si W12
• Calculated formula: C40 Ag4 N16 O40 Si W12
• Title of publication: A new IR non-linear optical material with 2D 3-fold interpenetrated topology
• Authors of publication: Xie, Yi-Ming; Yu, Rong-Ming; Wu, Xiao-Yuan; Wang, Fei; Chen, Shan-Ci; Lu, Can-Zhong
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3490
• a: 26.172 ± 0.005 Å
• b: 15.846 ± 0.003 Å
• c: 20.566 ± 0.007 Å
• α: 90°
• β: 110.119 ± 0.002°
• γ: 90°
• Cell volume: 8009 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No