Information card for entry 1568594

Structure parameters

• Formula: C144 H168 Cl14 Mo6 O140
• Calculated formula: C144 H168 Cl14 Mo6 O138
• Title of publication: Supramolecular Host–Guest Assemblies of [M6Cl14]2–, M = Mo, W, Clusters with γ-Cyclodextrin for the Development of CLUSPOMs
• Authors of publication: Ivanov, Anton A.; Abramov, Pavel A.; Haouas, Mohamed; Molard, Yann; Cordier, Stéphane; Falaise, Clément; Cadot, Emmanuel; Shestopalov, Michael A.
• Journal of publication: Inorganics
• Year of publication: 2023
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 77
• a: 23.806 ± 0.001 Å
• b: 23.806 ± 0.001 Å
• c: 22.831 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12938.9 ± 1 ų
• Cell temperature: 200.15 K
• Ambient diffraction temperature: 200.15 K
• Number of distinct elements: 5
• Space group number: 90
• Hermann-Mauguin space group symbol: P 4 21 2
• Hall space group symbol: P 4ab 2ab
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.2134
• Weighted residual factors for all reflections included in the refinement: 0.2199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No