Information card for entry 4303155

Structure parameters

• Formula: C76 H68 Br4 Cu4 P4 S4 Sn
• Calculated formula: C76 H68 Br4 Cu4 P4 S4 Sn
• SMILES: [Sn]12345[S]6CC[S]3[Cu]3([P](c7ccccc7)(c7ccccc7)c7ccccc7)[Br]5[Cu]([P](c5ccccc5)(c5ccccc5)c5ccccc5)([S]1CC[S]2[Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[Br]4[Cu]6([P](c2ccccc2)(c2ccccc2)c2ccccc2)[Br]1)[Br]3
• Title of publication: Heterometallic Aggregates of Copper(I) with Metalloligand Sn(edt)2 (edt = ethane-1,2-dithiolate): Syntheses and Structures of [Sn(edt)2Cl(μ-I)(μ3-I)(CuPPh3)3], [Sn(edt)2(μ-Br)2(μ3-Br)2(CuPPh3)4], and [{Sn(edt)2}3(μ-OH)3Cu5(PPh3)8][PF6]2
• Authors of publication: Yan-Gong Han; Chao Xu; Taike Duan; Fang-Hui Wu; Qian-Feng Zhang; Wa-Hung Leung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8796 - 8802
• a: 19.8088 ± 0.0002 Å
• b: 19.3467 ± 0.0002 Å
• c: 20.2052 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7743.34 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No