Information card for entry 7243507

Structure parameters

• Formula: C27 H26 P4 Pd
• Calculated formula: C27 H26 P4 Pd
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)CCC[P]1(c1ccccc1)c1ccccc1)([PH3])[PH3]
• Title of publication: The synergistic copper/ppm Pd-catalyzed hydrocarboxylation of alkynes with formic acid as a CO surrogate as well as a hydrogen source: an alternative indirect utilization of CO2
• Authors of publication: Xia, Shu-Mei; Yang, Zhi-Wen; Yao, Xiang-Yang; Chen, Kai-Hong; Qiu, Li-Qi; He, Liang-Nian
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 20
• Pages of publication: 8089 - 8095
• a: 8.4671 ± 0.0005 Å
• b: 10.5451 ± 0.0006 Å
• c: 14.4131 ± 0.0007 Å
• α: 88.379 ± 0.004°
• β: 80.098 ± 0.004°
• γ: 73.608 ± 0.005°
• Cell volume: 1215.92 ± 0.12 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No