Information card for entry 4338969

Structure parameters

• Formula: C36.5 H40.5 As Cl2.5 N O4 P Pd
• Calculated formula: C36.5 H40.5 As Cl2.5 N O4 P Pd
• SMILES: [Pd]12([P]([C@@H]3[C@@H]4[As@@]1(c1ccccc1)[C@@H](C(=C4C)C)C3)(c1ccccc1)c1ccccc1)[N]([C@H](c1c2cccc1)C)(C)C.C(Cl)(Cl)Cl.Cl(=O)(=O)(=O)[O-]
• 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: 9.9874 ± 0.0003 Å
• b: 10.4103 ± 0.0003 Å
• c: 18.6414 ± 0.0007 Å
• α: 93.513 ± 0.002°
• β: 103.462 ± 0.002°
• γ: 100.661 ± 0.001°
• Cell volume: 1841.32 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No