Information card for entry 4515376

Structure parameters

• Formula: C22 H20 Cu2 O12
• Calculated formula: C22 H20 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: 18.6055 ± 0.0011 Å
• b: 18.6055 ± 0.0011 Å
• c: 6.9528 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2084.4 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No