Information card for entry 2016703

Structure parameters

• Chemical name: cyclo-bis[μ~2~-bis(diphenylphosphino)amine]di-μ~3~-sulfanido-di-μ~2~- sulfanido-tetracopper(I) methanol disolvate
• Formula: C50 H54 Cu4 N2 O2 P4 S4
• Calculated formula: C50 H50 Cu4 N2 O2 P4 S4
• SMILES: CO.N1[P](c2ccccc2)(c2ccccc2)[Cu]2345[S]6[Cu]73(S2)[P](N[P](c2ccccc2)(c2ccccc2)[Cu]2367[S]4[Cu]53([P]1(c1ccccc1)c1ccccc1)S2)(c1ccccc1)c1ccccc1.CO
• Title of publication: A novel tetranuclear copper(I) sulfanide complex with bis(diphenylphosphino)amine
• Authors of publication: Zhao, Wen-Na; Han, Lei; Luo, Cheng-Cai
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m280 - m282
• a: 17.0144 ± 0.0008 Å
• b: 18.2738 ± 0.0009 Å
• c: 17.1713 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5338.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.148
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes