Information card for entry 1560435

Structure parameters

• Formula: C96 H120 N48 Zn12
• Calculated formula: C96 H120 N48 Zn12
• Title of publication: Beam-sensitive metal-organic framework structure determination by microcrystal electron diffraction.
• Authors of publication: Banihashemi, Fateme; Bu, Guanhong; Thaker, Amar; Williams, Dewight; Lin, Jerry Y S; Nannenga, Brent L
• Journal of publication: Ultramicroscopy
• Year of publication: 2020
• Journal volume: 216
• Pages of publication: 113048
• a: 16.88 ± 0.003 Å
• b: 16.88 ± 0.003 Å
• c: 16.88 ± 0.003 Å
• α: 90 ± 0.03°
• β: 90 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 4809.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for all reflections: 0.1779
• Residual factor for significantly intense reflections: 0.1348
• Weighted residual factors for significantly intense reflections: 0.3253
• Weighted residual factors for all reflections included in the refinement: 0.3411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No