Information card for entry 4101317

Structure parameters

• Formula: C32 H40 Fe N O P Pd
• Calculated formula: C32 H40 Fe N O P Pd
• SMILES: [Pd]1([P]([c]34[Fe]56789%10%11([cH]3[cH]5[cH]6[cH]47)[cH]3[cH]%11[cH]%10[cH]9[cH]83)(C(C)(C)C)C(C)(C)C)(N(C(=[O]1)C)c1ccccc1)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: 12.597 ± 0.003 Å
• b: 10.484 ± 0.002 Å
• c: 22.535 ± 0.005 Å
• α: 90°
• β: 102.56 ± 0.03°
• γ: 90°
• Cell volume: 2904.9 ± 1 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No