Information card for entry 4063326

Structure parameters

• Formula: C26 H48 B2 F8 O6 P2 Pd2
• Calculated formula: C26 H48 B2 F8 O6 P2 Pd2
• SMILES: [Pd]1([P](Oc2c1ccc(c2)C)(C(C)C)C(C)C)([OH2])[OH2].[B](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: 11.47 ± 0.004 Å
• b: 13.402 ± 0.005 Å
• c: 14.227 ± 0.005 Å
• α: 70.71 ± 0.01°
• β: 76.78 ± 0.01°
• γ: 74 ± 0.01°
• Cell volume: 1961 ± 1 ų
• Cell temperature: 223.2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No