Information card for entry 1567996

Structure parameters

• Formula: C42 H42 Cl6 Fe6 N6 O38 Pd3
• Calculated formula: C42 H42 Cl6 Fe6 N6 O38 Pd3
• Title of publication: Heterometallic palladium-iron metal-organic framework as a highly active catalyst for cross-coupling reactions.
• Authors of publication: Miguel-Casañ, Eugenia; Darawsheh, Mohanad D.; Fariña-Torres, Víctor; Vitórica-Yrezábal, Iñigo J; Andres-Garcia, Eduardo; Fañanás-Mastral, Martín; Mínguez Espallargas, Guillermo
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 179 - 185
• a: 22.1165 ± 0.0004 Å
• b: 22.1165 ± 0.0004 Å
• c: 22.1165 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10818.1 ± 0.3 ų
• Cell temperature: 119.6 ± 0.8 K
• Ambient diffraction temperature: 119.6 ± 0.8 K
• Number of distinct elements: 7
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No