Information card for entry 4327361

Structure parameters

• Formula: C84 H86 Cl2 Cu3 O2 P7 S2
• Calculated formula: C84 H86 Cl2 Cu3 O2 P7 S2
• SMILES: P1(=[S][Cu]2([P](c3ccccc3)(c3ccccc3)CC[P](c3ccccc3)(c3ccccc3)[Cu]34[P](c5ccccc5)(c5ccccc5)CC[P](c5ccccc5)(c5ccccc5)[Cu]([P](c5ccccc5)(c5ccccc5)CC[P]2(c2ccccc2)c2ccccc2)([Cl]3)[Cl]4)S1)(OC(C)C)OC(C)C
• 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: 24.965 ± 0.003 Å
• b: 17.0583 ± 0.0018 Å
• c: 20.253 ± 0.002 Å
• α: 90°
• β: 95.351 ± 0.004°
• γ: 90°
• Cell volume: 8587.4 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No