Information card for entry 7041076

Structure parameters

• Formula: C24 H22 Cl4 Co N4 O12 Pd2
• Calculated formula: C24 H22 Cl4 Co N4 O12 Pd2
• SMILES: c1cc(cc2c3cc(cc[n]3[Pd](Cl)(Cl)[n]12)C(=O)O)C(=O)O[Co](OC(=O)c1cc[n]2c(c3cc(cc[n]3[Pd]2(Cl)Cl)C(=O)O)c1)([OH2])([OH2])([OH2])[OH2]
• Title of publication: The synergistic effect of cobalt on a Pd/Co catalyzed Suzuki-Miyaura cross-coupling in water.
• Authors of publication: You, Li-Xin; Liu, Hui-Jie; Cui, Lan-Xin; Ding, Fu; Xiong, Gang; Wang, Shu-Ju; Ren, Bao-Yi; Dragutan, Ileana; Dragutan, Valerian; Sun, Ya-Guang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 46
• Pages of publication: 18455 - 18458
• a: 5.301 ± 0.0011 Å
• b: 12.47 ± 0.003 Å
• c: 12.61 ± 0.003 Å
• α: 76.8 ± 0.03°
• β: 79.55 ± 0.03°
• γ: 81.3 ± 0.03°
• Cell volume: 792.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1878
• Weighted residual factors for all reflections included in the refinement: 0.2243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No