Information card for entry 7010859

Structure parameters

• Formula: C18 H22 Cl2 N O2 P Pd S
• Calculated formula: C18 H22 Cl2 N O2 P Pd S
• SMILES: [Pd]1(Cl)(Cl)[P](N[C@H](C(=O)OC)CC[S]1C)(c1ccccc1)c1ccccc1
• Title of publication: Chiral palladium complexes from N-diphenylphosphinoamino methyl esters
• Authors of publication: Zhang, Qingzhi; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 3598
• a: 8.8737 ± 0.0001 Å
• b: 13.5627 ± 0.0002 Å
• c: 17.5293 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2109.67 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0189
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for all reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0423
• Goodness-of-fit parameter for all reflections: 1.008
• Goodness-of-fit parameter for significantly intense reflections: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No