Information card for entry 7102653

Structure parameters

• Formula: C20 H27 Br2 P Pd2
• Calculated formula: C20 H27 Br2 P Pd2
• SMILES: [Pd]12345[Pd]67([Br]1)([Br])[cH]1[cH]4[c]3([cH]5[cH]7C61)c1ccccc1[P]2(C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis of two novel dinuclear palladium(I) complexes and studies of their catalytic activity in amination reactions.
• Authors of publication: Christmann, Ute; Vilar, Ramón; White, Andrew J P; Williams, David J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 11
• Pages of publication: 1294 - 1295
• a: 16.195 ± 0.003 Å
• b: 8.037 ± 0.002 Å
• c: 34.199 ± 0.009 Å
• α: 90°
• β: 98.901 ± 0.011°
• γ: 90°
• Cell volume: 4397.8 ± 1.8 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No