Information card for entry 7025939

Structure parameters

• Formula: C32 H24 Br4 Cl4 Pd2
• Calculated formula: C32 H24 Br4 Cl4 Pd2
• SMILES: [Pd]123([Br][Pd]45([Br]1)C[C]4(CBr)=[C]5(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[C]2(CBr)=[C]3(c1ccc(Cl)cc1)c1ccc(Cl)cc1
• Title of publication: PdCl(2)-promoted reactions of diaryl-substituted methylenecyclopropanes.
• Authors of publication: Qi, Ming-Hui; Shao, Li-Xiong; Shi, Min
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 37
• Pages of publication: 8829 - 8834
• a: 10.7816 ± 0.0006 Å
• b: 27.747 ± 0.0016 Å
• c: 25.1259 ± 0.0015 Å
• α: 90°
• β: 98.567 ± 0.001°
• γ: 90°
• Cell volume: 7432.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No