Information card for entry 1546835

Structure parameters

• Formula: C9 H3 Hf3 O13 S6
• Calculated formula: C9 H3 Hf3 O13 S6
• Title of publication: A new superacid hafnium-based metal–organic framework as a highly active heterogeneous catalyst for the synthesis of benzoxazoles under solvent-free conditions
• Authors of publication: Nguyen, Linh H. T.; Nguyen, The T.; Nguyen, Ha L.; Doan, Tan L. H.; Tran, Phuong Hoang
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 19
• Pages of publication: 4346 - 4350
• a: 34.901 ± 0.003 Å
• b: 34.901 ± 0.003 Å
• c: 34.901 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 42512 ± 6 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: 0.0602
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.383
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No