Information card for entry 7211111

Structure parameters

• Formula: C54 H56 Cu3 N14 O18
• Calculated formula: C48 H42 Cu3 N12 O16
• Title of publication: Using hinged ligands to target structurally flexible copper(ii) MOFs
• Authors of publication: Bloch, Witold M.; Doonan, Christian J.; Sumby, Christopher J.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9663
• a: 15.219 ± 0.003 Å
• b: 75.54 ± 0.015 Å
• c: 14.401 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16556 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.2502
• Weighted residual factors for all reflections included in the refinement: 0.2618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No