Information card for entry 4089549

Structure parameters

• Formula: C38 H53 B2 F8 N3 P2 Pd
• Calculated formula: C38 H53 B2 F8 N3 P2 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: 13.0651 ± 0.0007 Å
• b: 19.8103 ± 0.0008 Å
• c: 15.9572 ± 0.0008 Å
• α: 90°
• β: 98.12 ± 0.002°
• γ: 90°
• Cell volume: 4088.7 ± 0.3 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: 0.074
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.372
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No