Information card for entry 4349869

Structure parameters

• Formula: C108 H192 N8 O20 Pd2
• Calculated formula: C108 H192 N8 O20 Pd2
• SMILES: C1(=O)C(=O)N2c3ccc(cc3)C#Cc3ccc(N4C(=O)C(=O)O[Pd]54N(C(=O)C(=O)O5)c4ccc(cc4)C#Cc4ccc(N5[Pd]2(O1)OC(=O)C5=O)cc4)cc3.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.CO.CO.CO.CO.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.CO.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: 10.4534 ± 0.0007 Å
• b: 14.7803 ± 0.001 Å
• c: 20.3003 ± 0.0013 Å
• α: 102.903 ± 0.002°
• β: 102.983 ± 0.002°
• γ: 105.397 ± 0.002°
• Cell volume: 2809.8 ± 0.3 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: 0.0329
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No