Information card for entry 1514166

Structure parameters

• Formula: C18 H38 Cu3 O28
• Calculated formula: C18 H6 Cu3 O15
• Title of publication: The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.
• Authors of publication: McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.
• Journal of publication: Nanoscale
• Year of publication: 2014
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 4163 - 4173
• a: 26.37 ± 0.003 Å
• b: 26.37 ± 0.003 Å
• c: 26.37 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18337 ± 4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Ambient diffracton pressure: 0.2 kPa
• Number of distinct elements: 4
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No