Information card for entry 4089547

Structure parameters

• Formula: C51 H68 B F4 P3 Pd
• Calculated formula: C51 H68 B F4 P3 Pd
• Title of publication: Intramolecular Arene C-H to C-P Functionalization Mediated by Ni(II) and Pd(II).
• Authors of publication: Suseno, Sandy; Agapie, Theodor
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 11
• Pages of publication: 3161
• a: 9.7632 ± 0.0006 Å
• b: 13.8627 ± 0.0009 Å
• c: 18.8685 ± 0.0011 Å
• α: 111.116 ± 0.003°
• β: 96.691 ± 0.003°
• γ: 92.975 ± 0.003°
• Cell volume: 2353.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1179
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No