Information card for entry 7052810

Structure parameters

• Formula: C22 H50 Cu2 N2 P2 S4
• Calculated formula: C22 H50 Cu2 N2 P2 S4
• SMILES: C1(N(CC)CC)=[S][Cu]2([P](CC)(CC)CC)[S]1[Cu]1([P](CC)(CC)CC)[S]=C(N(CC)CC)[S]21
• Title of publication: Phosphine stabilized copper(i) complexes of dithiocarbamates and xanthates and their decomposition pathways
• Authors of publication: Afzaal, Mohammad; Rosenberg, Chico L.; Malik, Mohammad A.; White, Andrew J. P.; O'Brien, Paul
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 12
• Pages of publication: 2773
• a: 11.0675 ± 0.0012 Å
• b: 11.4557 ± 0.0013 Å
• c: 12.6537 ± 0.0017 Å
• α: 90°
• β: 92.088 ± 0.008°
• γ: 90°
• Cell volume: 1603.2 ± 0.3 ų
• Cell temperature: 183 K
• Ambient diffraction temperature: 183 K
• Number of distinct elements: 6
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No