Information card for entry 4066981

Structure parameters

• Formula: C24 H24 Cl I2 N3 Pd
• Calculated formula: C24 H24 Cl I2 N3 Pd
• SMILES: [Pd](c1c(c2ccccc2)[n+](c(c2ccccc2)n1C(C)C)C)(I)(I)[n]1cc(ccc1)Cl
• Title of publication: Abnormal N-Heterocyclic Carbene Promoted Suzuki−Miyaura Coupling Reaction: A Comparative Study
• Authors of publication: Xu, Xiangya; Xu, Baochang; Li, Yongxin; Hong, Soon Hyeok
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6343
• a: 11.6209 ± 0.0005 Å
• b: 10.1227 ± 0.0004 Å
• c: 21.8342 ± 0.001 Å
• α: 90°
• β: 91.097 ± 0.002°
• γ: 90°
• Cell volume: 2567.99 ± 0.19 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0318
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No