Information card for entry 4515380

Structure parameters

• Formula: C23.67 H22 Cu2 O12
• Calculated formula: C23.6667 H22 Cu2 O12
• Title of publication: Ligand-Based Phase Control in Porous Molecular Assemblies.
• Authors of publication: Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 14
• Pages of publication: 11420 - 11424
• a: 15.8733 ± 0.0003 Å
• b: 18.3788 ± 0.0004 Å
• c: 32.3346 ± 0.0007 Å
• α: 90°
• β: 93.2461 ± 0.0012°
• γ: 90°
• Cell volume: 9417.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.2149
• Weighted residual factors for all reflections included in the refinement: 0.2408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No