Information card for entry 7713771

Structure parameters

• Formula: C85.08 H101.63 Mo6 N13.36 O34.36
• Calculated formula: C84.6 H99.12 Mo6 N13.2 O34.2
• Title of publication: Imparting structural robustness of Metal-Organic Cages based on oxo-dimolybdenum clusters
• Authors of publication: Delaporte , Solène; Abánades Lázaro, Isabel; Lopez-Cabrelles, Javier; Mazarakioti, Eleni C.; Chebourou, Sarah; Vitórica-Yrezábal, Iñigo J.; Giménez-Marqués, Mónica; Minguez Espallargas, Guillermo
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 39.015 ± 0.004 Å
• b: 39.015 ± 0.004 Å
• c: 13.9911 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18444 ± 3 ų
• Cell temperature: 149.8 ± 0.4 K
• Ambient diffraction temperature: 149.8 ± 0.4 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1744
• Residual factor for significantly intense reflections: 0.1145
• Weighted residual factors for significantly intense reflections: 0.2869
• Weighted residual factors for all reflections included in the refinement: 0.3268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No