Information card for entry 7004447

Structure parameters

• Formula: C48 H64 Cu3 N11 O26
• Calculated formula: C48 H64 Cu3 N11 O26
• Title of publication: Subtle structural variation in copper metal-organic frameworks: syntheses, structures, magnetic properties and catalytic behaviour
• Authors of publication: Burrows, Andrew D.; Frost, Christopher G.; Mahon, Mary F.; Winsper, Melanie; Richardson, Christopher; Attfield, J. Paul; Rodgers, Jennifer A.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 47
• Pages of publication: 6788 - 6795
• a: 13.39 ± 0.0002 Å
• b: 14.767 ± 0.0002 Å
• c: 18.465 ± 0.0003 Å
• α: 113.079 ± 0.001°
• β: 101.608 ± 0.001°
• γ: 100.368 ± 0.001°
• Cell volume: 3151.52 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No