Information card for entry 7245131

Structure parameters

• Formula: C72 H60 Ce5 N4 O34
• Calculated formula: C72 H60 Ce5 N4 O34
• Title of publication: Structural transformation of metal oxo species within UiO-66 type metal–organic frameworks
• Authors of publication: Wasson, Megan C.; Xie, Haomiao; Wang, Xingjie; Duncan, Joshua S.; Farha, Omar K.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 13.9994 ± 0.0002 Å
• b: 15.2612 ± 0.0003 Å
• c: 17.7824 ± 0.0003 Å
• α: 89.9738 ± 0.0015°
• β: 86.8717 ± 0.0014°
• γ: 89.3377 ± 0.0013°
• Cell volume: 3793.25 ± 0.11 ų
• Cell temperature: 100.02 ± 0.1 K
• Ambient diffraction temperature: 100.02 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.1205
• Weighted residual factors for significantly intense reflections: 0.3275
• Weighted residual factors for all reflections included in the refinement: 0.3285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No