Information card for entry 4101318

Structure parameters

• Formula: C32 H42 Fe N O2 P Pd S
• Calculated formula: C32 H42 Fe N O2 P Pd S
• SMILES: [Pd]1([O]=S(=O)(N1C)c1ccc(cc1)C)([P]([c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61)(C(C)(C)C)C(C)(C)C)c1ccccc1
• Title of publication: Organometallic chemistry of amidate complexes. accelerating effect of bidentate ligands on the reductive elimination of N-aryl amidates from palladium(II).
• Authors of publication: Fujita, Ken-ichi; Yamashita, Makoto; Puschmann, Florian; Alvarez-Falcon, Miguel Martinez; Incarvito, Christopher D; Hartwig, John F
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 28
• Pages of publication: 9044 - 9045
• a: 10.044 ± 0.002 Å
• b: 12.385 ± 0.003 Å
• c: 14.483 ± 0.003 Å
• α: 114.4 ± 0.03°
• β: 98.26 ± 0.03°
• γ: 102.83 ± 0.03°
• Cell volume: 1542.6 ± 0.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No