Information card for entry 4349868

Structure parameters

• Formula: C114 H208 N8 O20 Pd2
• Calculated formula: C114 H208 N8 O20 Pd2
• SMILES: C1(=O)N2c3ccc(cc3)C=Cc3ccc(N4C(=O)C(=O)O[Pd]54N(C(=O)C(=O)O5)c4ccc(cc4)C=Cc4ccc(N5[Pd]2(OC1=O)OC(=O)C5=O)cc4)cc3.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.CO.CO.C(C)OCC.OC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.C(C)OCC.CO.CO.CO
• Title of publication: Structurally characterized dipalladium(ii)-oxamate metallacyclophanes as efficient catalysts for sustainable Heck and Suzuki reactions in ionic liquids
• Authors of publication: Fortea-Pérez, Francisco Ramón; El Idrissi Moubtassim, Mouly Lahcen; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 2148
• a: 12.0326 ± 0.0005 Å
• b: 14.137 ± 0.0006 Å
• c: 20.7121 ± 0.0009 Å
• α: 70.239 ± 0.002°
• β: 76.719 ± 0.002°
• γ: 70.278 ± 0.002°
• Cell volume: 3094.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.2052
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No