Information card for entry 4089454

Structure parameters

• Formula: C20 H20 Cl2 Cu2 O4 P4
• Calculated formula: C20 H20 Cl2 Cu2 O4 P4
• SMILES: c1([p](cccc1)[Cu]12([p]3(c(cccc3)O)[Cu]2([p]2ccccc2O)([p]21c(cccc2)O)Cl)Cl)O
• Title of publication: The Original Coordination Chemistry of 2-Phosphaphenol with Copper(I) and Gold(I) Halides
• Authors of publication: Mao, Yanli; Lim, Kelvin Meng Hui; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 12
• Pages of publication: 3562
• a: 7.2297 ± 0.0002 Å
• b: 9.3745 ± 0.0003 Å
• c: 9.5825 ± 0.0003 Å
• α: 83.14 ± 0.001°
• β: 80.584 ± 0.001°
• γ: 76.615 ± 0.001°
• Cell volume: 621.04 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No