Information card for entry 7027896

Structure parameters

• Formula: C36 H49 Cl N O P Pd
• Calculated formula: C36 H39 Cl N O P Pd
• SMILES: [Pd]1(c2cc(OC)ccc2C=[N]1C[C@@H]1CC[C@H]2C[C@@H]1C2(C)C)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Optically active cyclopalladated derivatives of arylimines. Crystal structures of (+)-[{Pd[p-MeOC6H3CHNCH2-(1S,2R,5S)CHCH2CH2CHC(Me)2CHCH2](μ-X)}2] (X = Cl or Br), (+)-[Pd{p-MeOC6H3CHNCH2-(1S,2R,5S )-CHCH2CH2CHC(Me)2CHCH2}Cl(PPh3)] and (+)-[{Pd[p-MeOC6H3CHNCH2-(1S,2R,5S)-CHCH2CH2CHC(Me)2CHCH2]Cl}2{Fe(δ5-C5H4PPh2)2}]
• Authors of publication: Zhao, Gang; Wang, Qi-Guang; Mak, Thomas C. W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 7
• Pages of publication: 1241
• a: 12.138 ± 0.002 Å
• b: 13.909 ± 0.003 Å
• c: 10.066 ± 0.002 Å
• α: 91.75 ± 0.03°
• β: 97.35 ± 0.03°
• γ: 104.22 ± 0.03°
• Cell volume: 1630.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.0788
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No