Information card for entry 7003216

Structure parameters

• Formula: C24 H20 Cl N2 P Pd
• Calculated formula: C24 H20 Cl N2 P Pd
• SMILES: [Pd]12(Cl)[N](=P(c3c2cccc3)(c2ccccc2)c2ccccc2)Cc2[n]1cccc2
• Title of publication: Orthopalladation of iminophosphoranes: synthesis, structure and study of stability
• Authors of publication: Bielsa, Raquel; Navarro, Rafael; Soler, Tatiana; Urriolabeitia, Esteban P.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 9
• Pages of publication: 1203 - 1214
• a: 11.2481 ± 0.0003 Å
• b: 15.4741 ± 0.0004 Å
• c: 12.6043 ± 0.0004 Å
• α: 90°
• β: 104.696 ± 0.003°
• γ: 90°
• Cell volume: 2122.06 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No