Information card for entry 7719693

Structure parameters

• Formula: C31 H29 Cl2 N4 O4 P Pd
• Calculated formula: C31 H29 Cl2 N4 O4 P Pd
• Title of publication: Triazolyl-phosphine with pyridyl functionality: Pd^II/Pt^II complexes and selective transfer semi-hydrogenation of alkynes using ethanol as a hydrogen source.
• Authors of publication: Kaur, Bhupinder; Saha, Dipannita; Balakrishna, Maravanji S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 45
• Pages of publication: 16900 - 16910
• a: 14.4562 ± 0.0005 Å
• b: 11.8937 ± 0.0004 Å
• c: 19.2306 ± 0.0006 Å
• α: 90°
• β: 92.955 ± 0.001°
• γ: 90°
• Cell volume: 3302.07 ± 0.19 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.0478
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No