Information card for entry 7006676

Structure parameters

• Formula: C60 H54 Cl2 O4 P4 Pd2
• Calculated formula: C60 H54 Cl2 O4 P4 Pd2
• SMILES: O[P]([Pd]1(P(=O)(c2ccccc2)c2ccccc2)[Cl][Pd]([P](c2ccccc2)(c2ccccc2)O)(P(=O)(c2ccccc2)c2ccccc2)[Cl]1)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Chemistry of palladium phosphinite (PPh(2)(OR)) and phosphonite (P(OPh)(2)(OH)) complexes: catalytic activity in methoxycarbonylation and Heck coupling reactions.
• Authors of publication: Pryjomska, Iweta; Bartosz-Bechowski, Hubert; Ciunik, Zbigniew; Trzeciak, Anna M.; Ziółkowski, Józef J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 1
• Pages of publication: 213 - 220
• a: 8.6925 ± 0.0006 Å
• b: 16.1096 ± 0.0007 Å
• c: 20.145 ± 0.001 Å
• α: 90°
• β: 102.338 ± 0.005°
• γ: 90°
• Cell volume: 2755.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No