Information card for entry 4084463

Structure parameters

• Formula: C136 H144 F12 O14 P4 Pd4
• Calculated formula: C136 H144 F12 O14 P4 Pd4
• SMILES: C1(C)=[O][Pd](c2c(cccc2C)C)(OC(C)=[O][Pd](OC(C)=[O][Pd](c2c(cccc2C)C)(OC(=[O][Pd](O1)([P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)c1c(cccc1C)C)C)[P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)([P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)c1c(cccc1C)C)[P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Effects of PAr3Ligands on Direct Arylation of Heteroarenes with Isolated [Pd(2,6-Me2C6H3)(μ-O2CMe)(PAr3)]4Complexes
• Authors of publication: Wakioka, Masayuki; Nakamura, Yuki; Hihara, Yoshihiro; Ozawa, Fumiyuki; Sakaki, Shigeyoshi
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 6247
• a: 30.313 ± 0.007 Å
• b: 14.755 ± 0.003 Å
• c: 28.978 ± 0.006 Å
• α: 90°
• β: 97.712 ± 0.002°
• γ: 90°
• Cell volume: 12844 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No