Information card for entry 1573438

Structure parameters

• Formula: C108 H108 Mo12 N18 O72
• Calculated formula: C108 H114 Mo12 N18 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: 20.6212 ± 0.0003 Å
• b: 20.6212 ± 0.0003 Å
• c: 15.9529 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5874.87 ± 0.16 ų
• Cell temperature: 149.98 ± 0.1 K
• Ambient diffraction temperature: 149.98 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 175
• Hermann-Mauguin space group symbol: P 6/m
• Hall space group symbol: -P 6
• Residual factor for all reflections: 0.1377
• Residual factor for significantly intense reflections: 0.134
• Weighted residual factors for significantly intense reflections: 0.3398
• Weighted residual factors for all reflections included in the refinement: 0.3421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No