Information card for entry 7238864

Structure parameters

• Common name: TMOF-4
• Formula: C216 H148 O39 Zn7
• Calculated formula: C216 H144 O39 Zn7
• Title of publication: Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands
• Authors of publication: Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9811
• a: 33.48 ± 0.02 Å
• b: 33.48 ± 0.02 Å
• c: 105.59 ± 0.07 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 102500 ± 11 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1737
• Residual factor for significantly intense reflections: 0.1166
• Weighted residual factors for significantly intense reflections: 0.3416
• Weighted residual factors for all reflections included in the refinement: 0.3755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.266
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No