Information card for entry 7004446

Structure parameters

• Formula: C42 H51 Cu3 N9 O24
• Calculated formula: C42 H51 Cu3 N9 O24
• 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: 33.045 ± 0.0003 Å
• b: 18.74 ± 0.0004 Å
• c: 10.858 ± 0.0005 Å
• α: 90°
• β: 92.485 ± 0.001°
• γ: 90°
• Cell volume: 6717.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1887
• Residual factor for significantly intense reflections: 0.1425
• Weighted residual factors for significantly intense reflections: 0.3457
• Weighted residual factors for all reflections included in the refinement: 0.3697
• Goodness-of-fit parameter for all reflections included in the refinement: 2.415
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No