Information card for entry 2018165

Structure parameters

• Chemical name: Bis(acetonitrile-κ<i>N</i>)bis[hydridotris(3,5-dimethylpyrazol-1-yl- κ<i>N</i>^2^)borato]di-μ~3~-sulfido-tetra-μ~2~-sulfido-di-μ~2~- thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>- tetracopper(I)ditungsten(VI)
• Formula: C36 H50 B2 Cu4 N16 S8 W2
• Calculated formula: C36 H50 B2 Cu4 N16 S8 W2
• SMILES: [BH]12n3c(C)cc(C)[n]3[W]3456([n]7c(cc(n17)C)C)([n]1n2c(C)cc1C)S[Cu]125([S]3[Cu]61(S4)SC#[N][Cu]134([N]#CC)S[W]56783([n]3c(cc(C)n3[BH](n3c(C)cc([n]53)C)n3[n]6c(cc3C)C)C)[S]1[Cu]48(S7)SC#[N]2)[N]#CC
• Title of publication: Bis(acetonitrile-κ<i>N</i>)bis[hydridotris(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)borato]di-μ~3~-sulfido-tetra-μ~2~-sulfido-di-μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-tetracopper(I)ditungsten(VI)
• Authors of publication: Lü, Xue; Ren, Zhi-Gang; Zheng, Ai-Xia; Zhang, Liang; Lang, Jian-Ping
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m241 - m244
• a: 9.3349 ± 0.0019 Å
• b: 9.954 ± 0.002 Å
• c: 15.547 ± 0.003 Å
• α: 92.21 ± 0.03°
• β: 93.73 ± 0.03°
• γ: 112.33 ± 0.03°
• Cell volume: 1330.3 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes