Information card for entry 4510357

Structure parameters

• Formula: C64 H64 N6 O30 Zn5
• Calculated formula: C63.96 H57.84 N5.98 O30 Zn5
• Title of publication: A Simple and Rational Approach for Binodal Metal‒Organic Frameworks with Tetrahedral Nodes and Unexpected Multimodal Porosities from Nonstoichiometric Defects
• Authors of publication: Chun, Hyungphil; Bak, Woojeong; Hong, Keunil; Moon, Dohyun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1998
• a: 24.942 ± 0.003 Å
• b: 24.942 ± 0.003 Å
• c: 24.942 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15517 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.2181
• Weighted residual factors for all reflections included in the refinement: 0.2343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.74999 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No