Information card for entry 4034014

Structure parameters

• Formula: C53 H37 Cl6 F12 N4 O4 Pd2
• Calculated formula: C53 H37 Cl6 F12 N4 O4 Pd2
• Title of publication: Palladacycle-Phosphine Catalyzed Methylation of Amines and Ketones Using Methanol.
• Authors of publication: Mamidala, Ramesh; Biswal, Priyabrata; Subramani, M. Siva; Samser, Shaikh; Venkatasubbaiah, Krishnan
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 16
• Pages of publication: 10472 - 10480
• a: 12.6732 ± 0.0014 Å
• b: 15.4639 ± 0.0007 Å
• c: 16.0509 ± 0.0008 Å
• α: 114.873 ± 0.002°
• β: 96.893 ± 0.003°
• γ: 94.6 ± 0.003°
• Cell volume: 2803.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.053
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No