Information card for entry 7121464

Structure parameters

• Formula: C24 H74 Al13 Cl7 O41
• Calculated formula: C24 H74.0004 Al13 Cl6.9998 O40.9996
• Title of publication: Synthesis, characterization and properties of a glycol-coordinated ε-Keggin-type Al13 chloride
• Authors of publication: Gu, Bin; Sun, Chenlin; Fettinger, James C.; Casey, William H.; Dikhtiarenko, Alla; Gascon, Jorge; Koichumanova, Kamila; Babu, Karthick; Heeres, Erik; He, Songbo
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 24.6762 ± 0.0011 Å
• b: 24.6762 ± 0.0011 Å
• c: 24.6762 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15025.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No