Information card for entry 7032788

Structure parameters

• Formula: C48 H72 B2 Cu8 N22 O4 S6 W2
• Calculated formula: C48 H72 B2 Cu8 N22 O4 S6 W2
• Title of publication: Solvent effect-driven assembly of W/Cu/S cluster-based coordination polymers from the cluster precursor [Et4N][Tp*WS3(CuBr)3] and CuCN: isolation, structures and enhanced NLO responses.
• Authors of publication: Liu, Quan; Ren, Zhi-Gang; Deng, Li; Zhang, Wen-Hua; Zhao, Xin; Sun, Zhen-Rong; Lang, Jian-Ping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 1
• Pages of publication: 130 - 137
• a: 13.35 ± 0.003 Å
• b: 13.418 ± 0.003 Å
• c: 13.621 ± 0.003 Å
• α: 60.97 ± 0.03°
• β: 83.08 ± 0.03°
• γ: 80.95 ± 0.03°
• Cell volume: 2104.1 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No