Information card for entry 7211159

Structure parameters

• Common name: MIL125-NH2
• Formula: C24 H39 N3 O29 Ti4
• Calculated formula: C30 H15 N5 O50.875 Ti4
• Title of publication: Alternative synthetic methodology for amide formation in the post-synthetic modification of Ti-MIL125-NH2
• Authors of publication: Smalley, Adam P.; Reid, David G.; Tan, Jin Chong; Lloyd, Gareth O.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9368
• a: 18.7028 ± 0.0047 Å
• b: 18.7028 ± 0.0047 Å
• c: 18.2028 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6367 ± 3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor R(I) for significantly intense reflections: 0.06929
• Goodness-of-fit parameter for all reflections: 4.663
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No