Information card for entry 1550726

Structure parameters

• Mineral name: MIL-100(Ti)
• Formula: C387.84 H347.52 O312.92 Ti51
• Calculated formula: C386.16 H342.48 O312.08 Ti51
• Title of publication: De novo synthesis of mesoporous photoactive titanium(IV)-organic frameworks with MIL-100 topology
• Authors of publication: Castells-Gil, Javier; Padial, Natalia M.; Almora-Barrios, Neyvis; da Silva, Ivan; Mateo, Diego; Albero, Josep; Garcia, Hermenegildo; Martí-Gastaldo, Carlos
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 73.5168 ± 0.0016 Å
• b: 73.5168 ± 0.0016 Å
• c: 73.5168 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 397338 ± 15 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 1.88511
• Goodness-of-fit parameter for all reflections: 2.72301
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No