Information card for entry 7007794

Structure parameters

• Formula: C48 H47 Cl2 Fe N O10 P2 Pd Si
• Calculated formula: C48 H45 Cl2 Fe N O10 P2 Pd Si
• SMILES: [Pd]12([Fe]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([Si]([O]2C)(OC)OC)(C#[O])(C#[O])C#[O])/C(=C(/C(=O)OC)Cc1cccc2c1nccc2)C(=O)OC.C(Cl)Cl
• Title of publication: Insertion reactions of alkynes and organic isocyanides into the palladium-carbon bond of dimetallic Fe-Pd alkoxysilyl complexes.
• Authors of publication: Knorr, Michael; Jourdain, Isabelle; Braunstein, Pierre; Strohmann, Carsten; Tiripicchio, Antonio; Ugozzoli, Franco
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 44
• Pages of publication: 5248 - 5258
• a: 23.378 ± 0.003 Å
• b: 21.533 ± 0.003 Å
• c: 20.077 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10107 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1857
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 0.645
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No