Information card for entry 4348947

Structure parameters

• Formula: C50 H86 N4 O8 Pd
• Calculated formula: C50 H86 N4 O8 Pd
• SMILES: C([N+](CCCC)(CCCC)CCCC)CCC.O1[Pd]2(N(C(=O)C1=O)c1ccc(cc1)OC)N(C(=O)C(=O)O2)c1ccc(cc1)OC.C([N+](CCCC)(CCCC)CCCC)CCC
• Title of publication: Bis(N-substituted oxamate)palladate(ii) complexes as effective catalysts for sustainable Heck carbon‒carbon coupling reactions in n-Bu4NBr as the solvent
• Authors of publication: Fortea-Pérez, Francisco Ramón; Rothenpieler, Berit L.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 11
• Pages of publication: 1029
• a: 9.7928 ± 0.0005 Å
• b: 16.3297 ± 0.0008 Å
• c: 16.0978 ± 0.0008 Å
• α: 90°
• β: 95.392 ± 0.002°
• γ: 90°
• Cell volume: 2562.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No