Information card for entry 4063327

Structure parameters

• Formula: C26 H40 Cl2 O2 P2 Pd2
• Calculated formula: C26 H40 Cl2 O2 P2 Pd2
• SMILES: [Pd]12([Cl][Pd]3([Cl]1)[P](Oc1c3ccc(c1)C)(C(C)C)C(C)C)[P](Oc1c2ccc(c1)C)(C(C)C)C(C)C
• 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: 14.202 ± 0.006 Å
• b: 11.287 ± 0.004 Å
• c: 19.757 ± 0.008 Å
• α: 90°
• β: 101.497 ± 0.006°
• γ: 90°
• Cell volume: 3103 ± 2 ų
• Cell temperature: 223.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No