Information card for entry 7025934

Structure parameters

• Formula: C32 H28 Cl4 Pd2
• Calculated formula: C32 H28 Cl4 Pd2
• SMILES: [C]1(=[C]2(C[Pd]312[Cl][Pd]12([C](=[C]1(C2)CCl)(c1ccccc1)c1ccccc1)[Cl]3)CCl)(c1ccccc1)c1ccccc1
• 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: 9.1826 ± 0.0008 Å
• b: 15.125 ± 0.0013 Å
• c: 11.1711 ± 0.001 Å
• α: 90°
• β: 97.164 ± 0.002°
• γ: 90°
• Cell volume: 1539.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No