Information card for entry 7244562

Structure parameters

• Common name: bis(p-Miranphos)palladium(II) dichloride
• Formula: C45 H32 Cl2 F12 O5 P2 Pd
• Calculated formula: C45 H32 Cl2 F12 O5 P2 Pd
• Title of publication: Preparation of carboxylic arylphosphines by hydrolysis of the trifluoromethyl group
• Authors of publication: Herrera, Daniel; Peral, Daniel; Bayón, J. Carles
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 7103 - 7114
• a: 15.3938 ± 0.0007 Å
• b: 15.6175 ± 0.0008 Å
• c: 20.4211 ± 0.001 Å
• α: 90°
• β: 97.107 ± 0.001°
• γ: 90°
• Cell volume: 4871.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0709
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No