Information card for entry 1573441

Structure parameters

• Formula: C112 H122 Mo12 N20 O72
• Calculated formula: C112 H120 Mo12 N20 O72
• Title of publication: Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.
• Authors of publication: Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 6
• Pages of publication: 2589 - 2599
• a: 37.4589 ± 0.0018 Å
• b: 29.3487 ± 0.0009 Å
• c: 20.1896 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22195.8 ± 1.4 ų
• Cell temperature: 150.5 ± 0.9 K
• Ambient diffraction temperature: 150.5 ± 0.9 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2115
• Weighted residual factors for all reflections included in the refinement: 0.2293
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No