Information card for entry 4327357

Structure parameters

• Formula: C74 H100 B Cl Cu6 F4 O8 P8 S8
• Calculated formula: C74 H100 B Cl Cu6 F4 O8 P8 S8
• SMILES: [Cu]123[Cl]45[Cu]67[P](c8ccccc8)(c8ccccc8)C[P](c8ccccc8)(c8ccccc8)[Cu]84[S]7=P([S]([Cu]4[S]([Cu]5([S]=P([S]84)(OC(C)C)OC(C)C)[P](C[P]3(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)P(=[S]13)(OC(C)C)OC(C)C)[Cu]3[S]6P(=[S]2)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C.[B](F)(F)(F)[F-]
• Title of publication: Versatility of Dithiophosphates in the Syntheses of Copper(I) Complexes with Bis(diphenylphosphino)alkanes: Abstraction of Chloride from Dichloromethane
• Authors of publication: Ben-Jie Liaw; Tarlok S. Lobana; Ya-Wen Lin; Ju-Chun Wang; C. W. Liu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9921 - 9929
• a: 25.198 ± 0.004 Å
• b: 15.99 ± 0.003 Å
• c: 25.421 ± 0.004 Å
• α: 90°
• β: 106.027 ± 0.003°
• γ: 90°
• Cell volume: 9844 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No