Information card for entry 7713777

Structure parameters

• Formula: C174 H237.05 Mo12 N34 O76
• Calculated formula: C174 H237.038 Mo12 N34 O76
• 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: 19.2467 ± 0.0013 Å
• b: 19.8669 ± 0.0013 Å
• c: 19.9079 ± 0.0011 Å
• α: 109.122 ± 0.005°
• β: 104.775 ± 0.005°
• γ: 109.834 ± 0.006°
• Cell volume: 6164.7 ± 0.9 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.1858
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2081
• Weighted residual factors for all reflections included in the refinement: 0.2613
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No