Information card for entry 4114291

Structure parameters

• Formula: C28 H46 Cl6 Fe I2 P2 Pd
• Calculated formula: C28 H46 Cl6 Fe I2 P2 Pd
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]4[cH]39)[P]([Pd]1I)(C(C)(C)C)C(C)(C)C)[c]2([cH]5[cH]6[cH]8[cH]72)[P]1(C(C)(C)C)C(C)(C)C.[I-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Cine-Substitution in the Stille Coupling: Evidence for the Carbenoid Reactivity of sp3-gem-Organodimetallic Iodopalladio-trialkylstannylalkane Intermediates
• Authors of publication: Eric Fillion; Nicholas J. Taylor
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 12700 - 12701
• a: 15.8823 ± 0.0011 Å
• b: 12.4917 ± 0.0009 Å
• c: 21.3487 ± 0.0015 Å
• α: 90°
• β: 109.591 ± 0.002°
• γ: 90°
• Cell volume: 3990.3 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.371
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No