Information card for entry 1552093

Structure parameters

• Common name: PCN-416
• Chemical name: PCN-416
• Formula: C192 O96.16 Ti16 Zr4
• Calculated formula: C192 O96.16 Ti16 Zr4
• Title of publication: Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination
• Authors of publication: Wang, Bin; Zou, Xiaodong; Smeets, Stef
• Journal of publication: IUCrJ
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 5
• a: 16.5 ± 0.4 Å
• b: 16.5 ± 0.4 Å
• c: 29.8 ± 0.8 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8113 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for all reflections: 0.2785
• Residual factor for significantly intense reflections: 0.2163
• Weighted residual factors for significantly intense reflections: 0.4738
• Weighted residual factors for all reflections included in the refinement: 0.5351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.301
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No