Information card for entry 7713774

Structure parameters

• Formula: C162 H189.79 Mo12 N26 O68
• Calculated formula: C162 H189.908 Mo12 N26 O68
• 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: 14.5261 ± 0.0007 Å
• b: 18.4437 ± 0.001 Å
• c: 20.6426 ± 0.0009 Å
• α: 78.085 ± 0.004°
• β: 69.613 ± 0.004°
• γ: 81.101 ± 0.004°
• Cell volume: 5051.7 ± 0.5 ų
• Cell temperature: 119.9 ± 0.2 K
• Ambient diffraction temperature: 119.9 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.146
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No