Information card for entry 4338968

Structure parameters

• Formula: C27 H27 As Cl5 P Pd
• Calculated formula: C27 H27 As Cl5 P Pd
• SMILES: [Pd]1([As@]2(c3ccccc3)[C@H]3C(=C(C)[C@@H]2[C@@H]([P]1(c1ccccc1)c1ccccc1)C3)C)(Cl)Cl.ClC(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: 8.6453 ± 0.0003 Å
• b: 14.7344 ± 0.0006 Å
• c: 22.8349 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2908.79 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No