Information card for entry 7238863

Structure parameters

• Common name: TMOF-3-bipy
• Formula: C223 H174 Cl5 N11 O27 Zn4
• Calculated formula: C221.668 H174.89 Cl4.778 N11 O27 Zn4
• 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: 11.3952 ± 0.0007 Å
• b: 16.0546 ± 0.0009 Å
• c: 25.1653 ± 0.0016 Å
• α: 84.376 ± 0.004°
• β: 82.666 ± 0.004°
• γ: 78.759 ± 0.004°
• Cell volume: 4465.9 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.22
• Weighted residual factors for all reflections included in the refinement: 0.2343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No