Information card for entry 7241449

Structure parameters

• Formula: C64.5 H59 Ce3 N4.5 O24.5
• Calculated formula: C64.5 H59 Ce3 N4.5 O24.4999
• Title of publication: Modulation of crystal growth and structure within cerium-based metal‒organic frameworks
• Authors of publication: Wasson, Megan C.; Otake, Ken-ichi; Gong, Xinyi; Strathman, Annabella R.; Islamoglu, Timur; Gianneschi, Nathan C.; Farha, Omar K.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 13.2389 ± 0.0006 Å
• b: 14.3168 ± 0.0007 Å
• c: 19.9089 ± 0.001 Å
• α: 71.557 ± 0.004°
• β: 74.917 ± 0.004°
• γ: 75.843 ± 0.003°
• Cell volume: 3401.7 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0729
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No