Information card for entry 7011237

Structure parameters

• Formula: C19 H19 Cl N P Pd
• Calculated formula: C19 H19 Cl N P Pd
• SMILES: [Pd]1(Cl)([NH2]c2c([P]1(c1ccccc1)c1ccccc1)cccc2)C
• Title of publication: Ligand effects on palladium complex catalyzed copolymerization of ethylene/carbon monoxide
• Authors of publication: Reddy, K. Rajender; Tsai, Wei-Wen; Surekha, K.; Lee, Gene-Hsiang; Peng, Shie-Ming; Chen, Jwu-Ting; Liu, Shiuh-Tzung
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1776
• a: 9.6838 ± 0.0003 Å
• b: 9.8823 ± 0.0003 Å
• c: 10.5044 ± 0.0003 Å
• α: 81.18 ± 0.001°
• β: 89.079 ± 0.001°
• γ: 65.848 ± 0.001°
• Cell volume: 905.19 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0349
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No