Information card for entry 7048287

Structure parameters

• Formula: C68 H78 B20 Cl8 N2 P4 Pd2
• Calculated formula: C68 H78 B20 Cl8 N2 P4 Pd2
• Title of publication: Electronic versus steric control in palladium complexes of carboranyl phosphine-iminophosphorane ligands.
• Authors of publication: Rodríguez-Rey, José Luis; Esteban-Gómez, David; Platas-Iglesias, Carlos; Sousa-Pedrares, Antonio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 486 - 503
• a: 9.6471 ± 0.0008 Å
• b: 20.3872 ± 0.0016 Å
• c: 20.3717 ± 0.0015 Å
• α: 90°
• β: 100.521 ± 0.003°
• γ: 90°
• Cell volume: 3939.3 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No