Information card for entry 7211112

Structure parameters

• Formula: C140 H188 Cu6 N30 O38
• Calculated formula: C104 H100 Cu6 N16 O20
• 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: 19.4251 ± 0.0009 Å
• b: 36.589 ± 0.002 Å
• c: 37.762 ± 0.002 Å
• α: 90°
• β: 114.202 ± 0.004°
• γ: 90°
• Cell volume: 24480 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No