Information card for entry 1575813

Structure parameters

• Formula: C21 H30 F18 N2 O8 Ti2
• Calculated formula: C21 H30 F18 N2 O8 Ti2
• Title of publication: Exploring untapped potential of the molecular precursor approach to control fluorine-doping in mesostructured titania for acid catalysis
• Authors of publication: Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 22
• Pages of publication: 6744 - 6756
• a: 19.5163 ± 0.0002 Å
• b: 17.4673 ± 0.0002 Å
• c: 19.7943 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6747.82 ± 0.15 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No