Information card for entry 4064113

Structure parameters

• Formula: C26 H34 Cl2 N4 O2 P2 Pd2
• Calculated formula: C26 H34 Cl2 N4 O2 P2 Pd2
• SMILES: [Pd]12([Pd](Cl)([P](O)(c3[n]2ccn3c2ccccc2)C(C)(C)C)[n]2c([P]1(O)C(C)(C)C)n(c1ccccc1)cc2)Cl
• Title of publication: Preparation of New Buchwald-Type Secondary Phosphine Oxide Ligands and Applications in Suzuki−Miyaura Reactions
• Authors of publication: Hu, Dan-Fu; Weng, Chia-Ming; Hong, Fung-E
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 1139
• a: 9.4095 ± 0.0003 Å
• b: 16.1661 ± 0.0006 Å
• c: 19.8026 ± 0.0007 Å
• α: 90°
• β: 93.133 ± 0.003°
• γ: 90°
• Cell volume: 3007.77 ± 0.18 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0688
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No