Information card for entry 7126373

Structure parameters

• Formula: C48 H38 Ce3 F0.5 N1.5 O15.5
• Calculated formula: C48 H37.88 Ce3 F0.46 N1.5 O15.54
• Title of publication: Molecular nanoparticles of cerium dioxide: structure-directing effect of halide ions.
• Authors of publication: Russell-Webster, Bradley; Abboud, Khalil A.; Christou, George
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 40
• Pages of publication: 5382 - 5385
• a: 14.683 ± 0.009 Å
• b: 14.726 ± 0.01 Å
• c: 14.909 ± 0.01 Å
• α: 60.518 ± 0.011°
• β: 65.035 ± 0.011°
• γ: 62.487 ± 0.01°
• Cell volume: 2408 ± 3 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No