Information card for entry 4003365

Structure parameters

• Formula: C276 H180 Cu24 N24 O144
• Calculated formula: C276 H180 Cu24 N24 O144
• Title of publication: Mechanochemical Synthesis of Porous Molecular Assemblies
• Authors of publication: Barreda, Omar; Taggart, Garrett A.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 12
• Pages of publication: 3975
• a: 32.5662 ± 0.0017 Å
• b: 32.5662 ± 0.0017 Å
• c: 46.87 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 49708 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.1446
• Residual factor for significantly intense reflections: 0.1325
• Weighted residual factors for significantly intense reflections: 0.3954
• Weighted residual factors for all reflections included in the refinement: 0.4118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.953
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No