Information card for entry 4338965

Structure parameters

• Formula: C23 H28 As Cl4 N Pd
• Calculated formula: C23 H28 As Cl4 N Pd
• SMILES: [Pd]1(Cl)([N]([C@H](c2c1cccc2)C)(C)C)[As]1(C=C(C(=C1)C)C)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: Novel stereochemistry, reactivity, and stability of an arsenic heterocycle in a metal-promoted asymmetric cycloaddition reaction.
• Authors of publication: Ma, Mengtao; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9488 - 9494
• a: 10.1936 ± 0.0003 Å
• b: 10.1936 ± 0.0003 Å
• c: 22.6287 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2036.32 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No