Information card for entry 7713775

Structure parameters

• Formula: C128.51 H154.52 Cl13.02 Mo12 N28 O62
• Calculated formula: C128.51 H154.516 Cl13.02 Mo12 N28 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: 19.3279 ± 0.0004 Å
• b: 19.6862 ± 0.0003 Å
• c: 27.281 ± 0.001 Å
• α: 90°
• β: 109.113 ± 0.003°
• γ: 90°
• Cell volume: 9808 ± 0.5 ų
• Cell temperature: 119.6 ± 0.7 K
• Ambient diffraction temperature: 119.6 ± 0.7 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2255
• Weighted residual factors for all reflections included in the refinement: 0.2524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No