Information card for entry 4088992

Structure parameters

• Formula: C36 H93 B22 Li O4 P2 Pd
• Calculated formula: C36 H93 B22 Li O4 P2 Pd
• Title of publication: Changing the Charge: Electrostatic Effects in Pd-Catalyzed Cross-Coupling
• Authors of publication: Chan, Allen L.; Estrada, Jess; Kefalidis, Christos E.; Lavallo, Vincent
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 19
• Pages of publication: 3257
• a: 19.1204 ± 0.0004 Å
• b: 16.5121 ± 0.0004 Å
• c: 19.7932 ± 0.0004 Å
• α: 90°
• β: 115.827 ± 0.0007°
• γ: 90°
• Cell volume: 5624.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No