Information card for entry 4062139

Structure parameters

• Formula: C66 H62 Cl2 Fe P4 Pd
• Calculated formula: C66 H62 Cl2 Fe P4 Pd
• SMILES: [Fe]12345678([c]9([cH]4[c]3(P(c3ccccc3)c3ccccc3)[c]2(P(c2ccccc2)c2ccccc2)[cH]19)C(C)(C)C)[c]1([cH]8[c]27[P]([Pd]([P]([c]62[cH]51)(c1ccccc1)c1ccccc1)(Cl)Cl)(c1ccccc1)c1ccccc1)C(C)(C)C
• Title of publication: A Palladium-Ferrocenyl Tetraphosphine System as Catalyst for Suzuki Cross-Coupling and Heck Vinylation of Aryl Halides: Dynamic Behavior of the Palladium/Phosphine Species.
• Authors of publication: Hierso, Jean-Cyrille; Fihri, Aziz; Amardeil, Régine; Meunier, Philippe; Doucet, Henri; Santelli, Maurice; Donnadieu, Bruno
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 22
• Pages of publication: 4490 - 4499
• a: 13.682 ± 0.005 Å
• b: 21.928 ± 0.005 Å
• c: 27.427 ± 0.005 Å
• α: 90 ± 0.005°
• β: 97.865 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 8151 ± 4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No