Information card for entry 4327355

Structure parameters

• Formula: C62 H72 Cu3 F6 O4 P7 S4
• Calculated formula: C62 H72 Cu3 F6 O4 P7 S4
• SMILES: [Cu]123[S]4([Cu]([S]=P(S[Cu]4[P](C[P]3(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)(OC(C)C)OC(C)C)[P](c3ccccc3)(c3ccccc3)C[P]2(c2ccccc2)c2ccccc2)P(=[S]1)(OC(C)C)OC(C)C.[P](F)(F)(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: 12.8962 ± 0.0017 Å
• b: 16.661 ± 0.002 Å
• c: 16.876 ± 0.002 Å
• α: 81.23 ± 0.002°
• β: 84.472 ± 0.002°
• γ: 87.297 ± 0.002°
• Cell volume: 3565 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0621
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No