Information card for entry 4132939

Structure parameters

• Formula: C48 H56 Mo6 O64.5
• Calculated formula: C48 H56 Mo6 O64.5
• Title of publication: Probing Dynamic Library of Metal-Oxo Building Blocks with γ-Cyclodextrin.
• Authors of publication: Falaise, Clément; Moussawi, Mhamad Aly; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim N.; Haouas, Mohamed; Cadot, Emmanuel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 36
• Pages of publication: 11198 - 11201
• a: 19.161 ± 0.003 Å
• b: 34.02 ± 0.005 Å
• c: 14.927 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9730 ± 2 ų
• Cell temperature: 230 K
• Ambient diffraction temperature: 230 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No