Information card for entry 7025033

Structure parameters

• Formula: C49 H52 As Cl7 N O4 P Pd
• Calculated formula: C49 H52 As Cl7 N O4 P Pd
• SMILES: [Pd]12([As@@]3([C@@H]4[C@H]([C@@H]([C@H]3C(=C4C)C)[P]2(c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccc3c(c2[C@H](C)[N]1(C)C)cccc3.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.Cl(=O)(=O)(=O)[O-]
• Title of publication: Steric effects on the control of endo/exo-selectivity in the asymmetric cycloaddition reaction of 3,4-dimethyl-1-phenylarsole.
• Authors of publication: Ma, Mengtao; Lu, Ruifeng; Pullarkat, Sumod A.; Deng, Weiqiao; Leung, Pak-Hing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 23
• Pages of publication: 5453 - 5461
• a: 12.6237 ± 0.0003 Å
• b: 17.1807 ± 0.0004 Å
• c: 23.4194 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5079.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0382
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No