Information card for entry 7048285

Structure parameters

• Formula: C60 H78 B20 Cl12 N2 P4 Pd2
• Calculated formula: C60 H78 B20 Cl12 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: 10.0348 ± 0.0009 Å
• b: 12.5745 ± 0.0013 Å
• c: 17.0634 ± 0.0017 Å
• α: 108.249 ± 0.006°
• β: 95.507 ± 0.006°
• γ: 98.63 ± 0.006°
• Cell volume: 1998.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No