Information card for entry 4079960

Structure parameters

• Common name: 1Pd
• Formula: C30 H31 F3 N O3 P Pd S
• Calculated formula: C30 H31 F3 N O3 P Pd S
• Title of publication: Investigation of Steric and Electronic Features of 3-Iminophosphine-Based Palladium Catalysts for Intermolecular Hydroamination
• Authors of publication: Zingales, Nicholas C.; Shaffer, Andrew R.; Schmidt, Joseph A. R.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 578
• a: 21.331 ± 0.004 Å
• b: 9.6895 ± 0.0017 Å
• c: 28.509 ± 0.005 Å
• α: 90°
• β: 98.402 ± 0.004°
• γ: 90°
• Cell volume: 5829.2 ± 1.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 8
• 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: 0.0595
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No