Information card for entry 4327358

Structure parameters

• Formula: C63 H72 Cl2 Cu2 O4 P6 S4
• Calculated formula: C63 H72 Cl2 Cu2 O4 P6 S4
• SMILES: C(C)(C)OP1(=[S][Cu]2([P](c3ccccc3)(C[P](c3ccccc3)(c3ccccc3)[Cu]3([P](C[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[S]=P(OC(C)C)(OC(C)C)S3)c2ccccc2)S1)OC(C)C.ClCCl
• 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: 18.5958 ± 0.0011 Å
• b: 15.5449 ± 0.0009 Å
• c: 24.486 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7078.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections: 0.1365
• Weighted residual factors for significantly intense reflections: 0.1311
• Goodness-of-fit parameter for all reflections: 1.129
• Goodness-of-fit parameter for significantly intense reflections: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No