Information card for entry 1558403

Structure parameters

• Formula: C144 H168 Br8 Cl6 Mo6 Na4 O138
• Calculated formula: C144 H168 Br8 Cl6 Mo6 O142
• Title of publication: From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix
• Authors of publication: Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane
• Journal of publication: Materials Horizons
• Year of publication: 2020
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 2399 - 2406
• a: 23.715 ± 0.002 Å
• b: 23.715 ± 0.002 Å
• c: 56.802 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 31946 ± 5 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 97
• Hermann-Mauguin space group symbol: I 4 2 2
• Hall space group symbol: I 4 2
• Residual factor for all reflections: 0.2301
• Residual factor for significantly intense reflections: 0.1011
• Weighted residual factors for significantly intense reflections: 0.2643
• Weighted residual factors for all reflections included in the refinement: 0.3499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No