Information card for entry 1575814

Structure parameters

• Formula: C31 H40 F24 N4 O6 Ti2
• Calculated formula: C31 H40 F24 N4 O6 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: 24.6382 ± 0.0002 Å
• b: 12.0552 ± 0.0001 Å
• c: 62.6466 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18607.2 ± 0.2 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No