Information card for entry 7011238

Structure parameters

• Formula: C37 H34 B F4 N P2 Pd
• Calculated formula: C37 H34 B F4 N P2 Pd
• SMILES: [Pd]1([P](c2ccccc2[NH2]1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C.[B](F)(F)(F)[F-]
• 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: 16.6481 ± 0.0002 Å
• b: 10.6638 ± 0.0001 Å
• c: 19.8024 ± 0.0002 Å
• α: 90°
• β: 101.99 ± 0.001°
• γ: 90°
• Cell volume: 3438.86 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No