Information card for entry 4132186

Structure parameters

• Formula: C72 Cu3 N12 O36 Zr6
• Calculated formula: C72 Cu3 N12 O36 Zr6
• Title of publication: Programmable Topology in New Families of Heterobimetallic Metal-Organic Frameworks.
• Authors of publication: Muldoon, Patrick F.; Liu, Chong; Miller, Carson C.; Koby, S. Benjamin; Gamble Jarvi, Austin; Luo, Tian-Yi; Saxena, Sunil; O'Keeffe, Michael; Rosi, Nathaniel L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 20
• Pages of publication: 6194 - 6198
• a: 15.7186 ± 0.0003 Å
• b: 15.7186 ± 0.0003 Å
• c: 29.22 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7219.5 ± 0.2 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.2593
• Weighted residual factors for all reflections included in the refinement: 0.2618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No