Information card for entry 4347130

Structure parameters

• Formula: C62 H82 B2 Cl2 Cu4 N14 O2 P2 S8 W2
• Calculated formula: C62 H82 B2 Cl2 Cu4 N14 O2 P2 S8 W2
• SMILES: [BH]12n3c(cc(C)[n]3[W]3456([n]7c(cc(C)n27)C)([n]2n1c(C)cc2C)S[Cu]5([S]3[Cu]6(S4)[S]=P(CCCCP(=[S][Cu]12[S]3[W]4562([n]2c(cc(C)n2[BH](n2c(C)cc([n]52)C)n2[n]6c(cc2C)C)C)(S[Cu]34Cl)S1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Cl)C.N#CC.O.N#CC.O
• Title of publication: Diverse Tp*-Capped W-Cu-S Clusters from One-Pot Assembly Involving in Situ Thiolation of Phosphines.
• Authors of publication: Zhao, Xin; Zhou, Feng; Liu, Quan; Chen, Qiu-Fang; Yang, Jun-Yi; Zhang, Wen-Hua; Song, Ying-Lin; Lang, Jian-Ping
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 1861 - 1871
• a: 10.3572 ± 0.0004 Å
• b: 14.0594 ± 0.0005 Å
• c: 15.5995 ± 0.0012 Å
• α: 77.091 ± 0.005°
• β: 71.087 ± 0.005°
• γ: 71.093 ± 0.003°
• Cell volume: 2015.1 ± 0.2 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.2248
• Weighted residual factors for all reflections included in the refinement: 0.241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No