Information card for entry 1558407

Structure parameters

• Formula: C96 H112 Br8 Cl8 Mo6 Na5 O102.5
• Calculated formula: C96 H112 Br8 Cl8 Mo6 Na5 O102.5
• 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: 15.8501 ± 0.0017 Å
• b: 32.821 ± 0.004 Å
• c: 17.405 ± 0.002 Å
• α: 90°
• β: 93.734 ± 0.004°
• γ: 90°
• Cell volume: 9035.1 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No