Information card for entry 4128038

Structure parameters

• Formula: C80.75 H139.75 Cu6 N15.25 Ni4 O70.75 Pd2
• Calculated formula: C88.5 Cu6 N16 Ni4 O53 Pd2
• Title of publication: Self-Assembly of Catalytically Active Supramolecular Coordination Compounds within Metal-Organic Frameworks.
• Authors of publication: Adam, Rosa; Mon, Marta; Greco, Rossella; Kalinke, Lucas H. G.; Vidal-Moya, Alejandro; Fernandez, Antonio; Winpenny, Richard E. P.; Doménech-Carbó, Antonio; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio; Ferrando-Soria, Jesús
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 26
• Pages of publication: 10350 - 10360
• a: 35.258 ± 0.01 Å
• b: 35.258 ± 0.01 Å
• c: 15.119 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18795 ± 9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 123
• Hermann-Mauguin space group symbol: P 4/m m m
• Hall space group symbol: -P 4 2
• Residual factor for all reflections: 0.2052
• Residual factor for significantly intense reflections: 0.1275
• Weighted residual factors for significantly intense reflections: 0.3501
• Weighted residual factors for all reflections included in the refinement: 0.3816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No