Information card for entry 7125257

Structure parameters

• Formula: C36 H28 O2 P2 Pd S
• Calculated formula: C36 H28 O2 P2 Pd S
• Title of publication: Highly efficient reduction of carbon dioxide with a borane catalyzed by bis(phosphinite) pincer ligated palladium thiolate complexes.
• Authors of publication: Ma, Qiang-Qiang; Liu, Ting; Li, Shujun; Zhang, Jie; Chen, Xuenian; Guan, Hairong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 99
• Pages of publication: 14262 - 14265
• a: 9.0944 ± 0.0007 Å
• b: 11.4218 ± 0.0009 Å
• c: 15.9032 ± 0.0012 Å
• α: 95.9441 ± 0.0008°
• β: 103.474 ± 0.0008°
• γ: 102.049 ± 0.0008°
• Cell volume: 1550.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0401
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No