Information card for entry 7032787

Structure parameters

• Formula: C45 H57 B Cu4 N14 O S3 W
• Calculated formula: C45 H57 B Cu4 N14 O S3 W
• 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: 17.767 ± 0.004 Å
• b: 17.553 ± 0.004 Å
• c: 18.214 ± 0.004 Å
• α: 90°
• β: 108.49 ± 0.03°
• γ: 90°
• Cell volume: 5387 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.2062
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No