Information card for entry 4069258

Structure parameters

• Formula: C23 H33 Cl I N2 P Pd
• Calculated formula: C23 H33 Cl I N2 P Pd
• SMILES: C12N(C=CN1Cc1ccccc1[P](C1CCCCC1)(C1CCCCC1)[Pd]=2(Cl)I)C
• Title of publication: Direct Arylation Mediated by Palladium Complexes with Rigid Phosphine-Functionalized N-Heterocyclic Carbenes
• Authors of publication: Ho, Chien-Chang; Chatterjee, Sandipan; Wu, Tzu-Liang; Chan, Kai-Ting; Chang, Yu-Wei; Hsiao, Tsun-Hung; Lee, Hon Man
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 9
• Pages of publication: 2837
• a: 15.8611 ± 0.0007 Å
• b: 14.6215 ± 0.0007 Å
• c: 11.4331 ± 0.0005 Å
• α: 90°
• β: 111.13°
• γ: 90°
• Cell volume: 2473.21 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No