Information card for entry 4515379

Structure parameters

• Formula: C20 H16 Cu2 O12
• Calculated formula: C20 H16 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: 18.767 ± 0.004 Å
• b: 18.767 ± 0.004 Å
• c: 7.015 ± 0.002 Å
• α: 90 ± 0.03°
• β: 90 ± 0.03°
• γ: 120 ± 0.03°
• Cell volume: 2139.7 ± 1.1 ų
• Cell temperature: 199 ± 2 K
• Ambient diffraction temperature: 199 ± 2 K
• Number of distinct elements: 4
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No