Information card for entry 7713773

Structure parameters

• Formula: C144 H164 Mo12 N20 O62
• Calculated formula: C144 H164 Mo12 N20 O62
• 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: 21.5269 ± 0.0011 Å
• b: 14.7675 ± 0.0007 Å
• c: 32.448 ± 0.002 Å
• α: 90°
• β: 101.313 ± 0.005°
• γ: 90°
• Cell volume: 10114.7 ± 1 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1613
• Residual factor for significantly intense reflections: 0.1309
• Weighted residual factors for significantly intense reflections: 0.3314
• Weighted residual factors for all reflections included in the refinement: 0.36
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No