Information card for entry 4063325

Structure parameters

• Formula: C18 H33 F6 O3 P3 Pd
• Calculated formula: C18 H33 F6 O3 P3 Pd
• SMILES: [Pd]12([P](Oc3c2c(O[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C)[OH2].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: pH-Dependent C-C Coupling Reactions Catalyzed by Water-Soluble Palladacyclic Aqua Catalysts in Water
• Authors of publication: Seiji Ogo; Yoshitaka Takebe; Keiji Uehara; Takayuki Yamazaki; Hidetaka Nakai; Yoshihito Watanabe; Shunichi Fukuzumi
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 2
• Pages of publication: 331 - 338
• a: 8.821 ± 0.001 Å
• b: 11.261 ± 0.002 Å
• c: 13.8 ± 0.002 Å
• α: 95.359 ± 0.008°
• β: 95.705 ± 0.007°
• γ: 99.059 ± 0.006°
• Cell volume: 1338.7 ± 0.3 ų
• Cell temperature: 223.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No